Peptide

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Monomers

The monomer reference library contains over 500 amino acid structural units, including 20 essential amino acids and a large number of non essential amino acid units. Most of the monomer structural information comes from the Norine database, while the rest is manually supplemented by CylicPepdiea.

Code Name Type Formula Smiles Clusters
0 Ahad alpha-amino-hydroxyadipic acid unknown C6H11NO5 NC(CC(O)CC(=O)O)C(=O)O ['Aad*', 'Aad*']
1 Aad 2-Aminoadipic acid NRPS C6H11NO4 NC(CCCC(=O)O)C(=O)O ['Aad*', 'Aad*']
2 Aib 2-Aminoisobutyric acid NRPS C4H9NO2 CC(C)(N)C(=O)O ['Aib*', 'Aib*']
3 Ac-Aib N-Acetyl-2-aminoisobutyric acid NRPS C6H11NO3 CC(=O)NC(C)(C)C(=O)O ['Aib*', 'Aib*']
4 bU-dAla beta-ureido-dehydroAlanine NRPS C4H7N3O3 NC(=O)NC=C(N)C(O)=O ['Ala*', 'Ala+Gly']
5 NMe-Ala N-Methyl-Alanine NRPS C4H9NO2 CNC(C)C(=O)O ['Ala*', 'Ala+Gly']
6 NMe-bAla N-methyl-beta-alanine NRPS C4H9NO2 CNCCC(=O)O ['Ala*', 'Ala+Gly']
7 dh-Ala dehydroalanine NRPS C3H5NO2 C=C(N)C(=O)O ['Ala*', 'Ala+Gly']
8 NdMe-Ala N-dimethyl-Alanine NRPS C5H11NO2 CC(C(=O)O)N(C)C ['Ala*', 'Ala+Gly']
9 Ala Alanine NRPS C3H7NO2 CC(N)C(=O)O ['Ala*', 'Ala+Gly']
10 D-Ala D-Alanine NRPS C3H7NO2 CC(N)C(=O)O ['Ala*', 'Ala+Gly']
11 bAla beta-Alanine NRPS C3H7NO2 NCCC(=O)O ['Ala*', 'Ala+Gly']
12 NFo-Ala N-formyl-Alanine unknown C4H7NO3 CC(NC=O)C(=O)O ['Ala*', 'Ala+Gly']
13 D-3OMe-Ala D-3-methoxyalanine NRPS C4H9NO3 COCC(N)C(=O)O ['Ala*', 'Ala+Gly']
14 D-NFo-Ala D-N-formyl-Alanine NRPS C4H7NO3 CC(NC=O)C(=O)O ['Ala*', 'Ala+Gly']
15 Gly Glycine NRPS C2H5NO2 NCC(=O)O ['Gly*', 'Ala+Gly']
16 NMe-Gly N-Methyl-Glycine NRPS C3H7NO2 CNCC(=O)O ['Gly*', 'Ala+Gly']
17 D-F-ph-Gly D-4-fluoroPhenylGlycin NRPS C8H8FNO2 NC(C(=O)O)c1ccc(F)cc1 ['Gly*', 'Ala+Gly']
18 NMe-Ph-Gly N-methyl-phenylglycine unknown C9H11NO2 CNC(C(=O)O)c1ccccc1 ['Gly*', 'Ala+Gly']
19 Ph-Gly phenylglycine NRPS C8H9NO2 NC(C(=O)O)c1ccccc1 ['Gly*', 'Ala+Gly']
20 D-ph-Gly D-PhenylGlycine NRPS C8H9NO2 NC(C(=O)O)c1ccccc1 ['Gly*', 'Ala+Gly']
21 Eta Ethanolamine NRPS C2H7NO NCCO ['Gly*', 'Ala+Gly']
22 aFo-Gly alpha-formylGlycine unknown C3H5NO3 NC(C=O)C(=O)O ['Gly*', 'Ala+Gly']
23 bMe-Asn beta-methyl-asparagine NRPS C5H10N2O3 CC(C(N)=O)C(N)C(=O)O ['Asn*', 'Asx']
24 D-OH-Asn D-HydroxyAsparagine NRPS C4H8N2O4 NC(=O)C(O)C(N)C(=O)O ['Asn*', 'Asx']
25 D-Asn D-Asparagine NRPS C4H8N2O3 NC(=O)CC(N)C(=O)O ['Asn*', 'Asx']
26 NMe-Asn N-methylasparagine unknown C5H10N2O3 CNC(CC(N)=O)C(=O)O ['Asn*', 'Asx']
27 D-PO-Asn D-PhosphateAsparagine NRPS C4H9N2O7P NC(=O)C(OP(O)(=O)O)C(N)C(O)=O ['Asn*', 'Asx']
28 D-N2Me-Asn D-N2-methyl-asparagine NRPS C5H10N2O3 CNC(=O)CC(N)C(=O)O ['Asn*', 'Asx']
29 OH-Asn Hydroxyasparagine NRPS C4H8N2O4 NC(=O)C(O)C(N)C(=O)O ['Asn*', 'Asx']
30 Asn Asparagine NRPS C4H8N2O3 NC(=O)CC(N)C(=O)O ['Asn*', 'Asx']
31 D-N2Me-bOH-Asn D-beta-hydroxy-N2-methyl-asparagine NRPS C5H10N2O4 CNC(=O)C(O)C(N)C(=O)O ['Asn*', 'Asx']
32 D-bMe-Asp D-beta-methyl-aspartic acid NRPS C5H9NO4 CC(C(N)C(=O)O)C(=O)O ['Asp*', 'Asx']
33 Asp Aspartic Acid NRPS C4H7NO4 NC(CC(=O)O)C(=O)O ['Asp*', 'Asx']
34 OH-Asp Hydroxyaspartic acid NRPS C4H7NO5 NC(C(=O)O)C(O)C(=O)O ['Asp*', 'Asx']
35 D-Asp D-Aspartic Acid NRPS C4H7NO4 NC(CC(=O)O)C(=O)O ['Asp*', 'Asx']
36 bOMe-Asp beta-methoxy-aspartic acid unknown C5H9NO4 COC(=O)CC(N)C(=O)O ['Asp*', 'Asx']
37 D-OH-Asp D-Hydroxyaspartic acid NRPS C4H7NO5 NC(C(=O)O)C(O)C(=O)O ['Asp*', 'Asx']
38 OMe-Asp methoxyaspartic acid NRPS C5H9NO5 CO=C(C(=O)O)C(N)C(=O)O ['Asp*', 'Asx']
39 bMe-Asp beta-methyl-aspartic acid NRPS C5H9NO4 CC(C(N)C(=O)O)C(=O)O ['Asp*', 'Asx']
40 Me2-Bmt 4-butenyl-4-methyl-N,4-methyl threonine NRPS C11H21NO3 CC=CCC(C)(C)C(O)C(NC)C(=O)O ['Bmt*', 'Bmt*']
41 Bmt 4-butenyl-4-methyl threonine NRPS C9H17NO3 CC=CCC(C)C(O)C(N)C(=O)O ['Bmt*', 'Bmt*']
42 3d-NMe-Bmt 3-Desoxy-Methyl-4-butenyl-4-methyl threonine NRPS C10H19NO2 CC=CCC(C)CC(NC)C(=O)O ['Bmt*', 'Bmt*']
43 NMe-Bmt N-methyl-4-butenyl-4-methyl threonine NRPS C10H19NO3 CC=CCC(C)C(O)C(NC)C(=O)O ['Bmt*', 'Bmt*']
44 Gen gentisic acid NaN C7H6O4 Oc1ccc(O)c(c1)C(=O)O ['Bz*', 'Bz*']
45 pNH2-Bz Para-amino benzoic acid NaN C7H7NO2 Nc1ccc(cc1)C(=O)O ['Bz*', 'Bz*']
46 Bz benzoic acid unknown C7H6O2 O=C(O)c1ccccc1 ['Bz*', 'Bz*']
47 diOH-Bz 2,3-dihydroxybenzoic acid NRPS C7H6O4 O=C(O)c1cccc(O)c1(O) ['Bz*', 'Bz*']
48 pOH-Bz para-hydroxy-benzoic acid unknown C7H6O3 Oc1ccc(cc1)C(=O)O ['Bz*', 'Bz*']
49 Cap capreomycidine NRPS C6H12N4O2 NC1=NCCC(N1)C(N)C(=O)O ['Cap*', 'Cap*']
50 5OH-Cap 5-hydroxy-capreomycidine NRPS C6H12N4O3 N=C1NC(O)CC(N1)C(N)C(=O)O ['Cap*', 'Cap*']
51 D-Ara D-arabinose CS C5H10O5 OC1COC(O)C(O)C1(O) ['Ara*', 'Carbohydrate']
52 Ara arabinose CS C5H10O5 OC1COC(O)C(O)C1(O) ['Ara*', 'Carbohydrate']
53 Oli L-Olivose CS C6H14O4 CC1OC(O)CC(O)C1(O) ['CH*', 'Carbohydrate']
54 Ere L-eremosamine CS C7H15NO3 CC1OC(O)CC(C)(N)C1(O) ['CH*', 'Carbohydrate']
55 Aco L-acosamine CS C6H13NO3 CC1OC(O)CC(N)C1(O) ['CH*', 'Carbohydrate']
56 Act L-actinosamine CS C7H15NO3 COC1C(N)CC(O)OC1(C) ['CH*', 'Carbohydrate']
57 D-Man D-mannose CS C6H12O6 OCC1OC(O)C(O)C(O)C1(O) ['CH*', 'Carbohydrate']
58 Ria L-ristosamine CS C6H13NO3 CC1OC(O)CC(N)C1(O) ['CH*', 'Carbohydrate']
59 Lyx lyxose CS C5H10O5 OC1COC(O)C(O)C1(O) ['CH*', 'Carbohydrate']
60 bD-Gal beta-D-galactose CS C6H12O6 OCC1OC(O)C(O)C(O)C1(O) ['Gal*', 'Carbohydrate']
61 D-Gal D-galactose CS C6H12O6 OCC1OC(O)C(O)C(O)C1(O) ['Gal*', 'Carbohydrate']
62 Glc L-glucose CS C6H12O6 OCC1OC(O)C(O)C(O)C1(O) ['Glc*', 'Carbohydrate']
63 D-Glc D-Glucose CS C6H12O6 OCC1OC(O)C(O)C(O)C1(O) ['Glc*', 'Carbohydrate']
64 2OMe-Rha O-methyl-L-rhamnose CS C7H14O5 COC1C(O)OC(C)C(O)C1(O) ['Rha*', 'Carbohydrate']
65 Rha L-rhamnose CS C6H12O5 CC1OC(O)C(O)C(O)C1(O) ['Rha*', 'Carbohydrate']
66 Van L-vancosamine CS C7H15NO3 CC1OC(O)CC(C)(N)C1(O) ['Van*', 'Carbohydrate']
67 4oxo-Van 4-oxovancosamine CS C7H13NO3 CC1OC(O)CC(C)(N)C1(=O) ['Van*', 'Carbohydrate']
68 U4oxo-Van ureido-4-oxovancosamine CS C8H14N2O4 CC1OC(O)CC2(C)(NC(=O)NC12(O)) ['Van*', 'Carbohydrate']
69 ChrAct actinomycin chromophore other C16H12N2O6 Cc1ccc(C(=O)O)c2N=C3C(Oc12)=C(C)C(=O)C(N)=C3(C(=O)O) ['Chromophores', 'Chromophores']
70 ChrA azotobactins chromophore NRPS C14H13N3O5 OC(=O)C2CCN4C(=O)NC3=Cc1cc(O)c(O)cc1N2C34 ['Chromophores', 'Chromophores']
71 ChrP pyoverdin chromophore NRPS C13H15N3O4 NC2=Cc1cc(O)c(O)cc1N3C(CCNC23)C(O)=O ['Chromophores', 'Chromophores']
72 ChrI isopyoverdin chromophore NRPS C13H15N3O4 NC2=Cc1cc(O)c(O)cc1N3CCC(NC23)C(O)=O ['Chromophores', 'Chromophores']
73 ChrD 5,6-dihydropyoverdin chromophore NRPS C13H17N3O4 NC2Cc1cc(O)c(O)cc1N3C(CCNC23)C(O)=O ['Chromophores', 'Chromophores']
74 Cit Citrulline NRPS C6H13N3O3 NC(=O)NCCCC(N)C(=O)O ['Cit*', 'Cit*']
75 D-Cit D-Citrulline NRPS C6H13N3O3 NC(=O)NCCCC(N)C(=O)O ['Cit*', 'Cit*']
76 CMA coronamic acid NRPS C6H11NO2 CCC1CC1(N)(C(=O)O) ['Cma*', 'Cma*']
77 norCMA norcoronamic acid NRPS C5H9NO2 CC1CC1(N)C(=O)O ['Cma*', 'Cma*']
78 NMe-Cys N-methylcysteine NRPS C4H9NO2S CNC(CS)C(=O)O ['Cys*', 'Cys*']
79 Cys Cysteine NRPS C3H7NO2S NC(CS)C(=O)O ['Cys*', 'Cys*']
80 diMe-Cys N,S-dimethylcysteine NRPS C5H11NO2S CNC(CSC)C(=O)O ['Cys*', 'Cys*']
81 CysA cysteic acid NRPS C3H7NO5S NC(CS(=O)(=O)O)C(=O)O ['Cys*', 'Cys*']
82 D-CysA D-cysteic acid NRPS C3H7NO5S NC(CS(=O)(=O)O)C(=O)O ['Cys*', 'Cys*']
83 aMe-Cys alpha-methylcysteine NRPS C4H9NO2S CC(N)(CS)C(=O)O ['Cys*', 'Cys*']
84 D-Cys D-Cysteine NRPS C3H7NO2S NC(CS)C(=O)O ['Cys*', 'Cys*']
85 dhCys dehydro-cysteine NRPS C3H5NO2S NC(=CS)C(=O)O ['Cys*', 'Cys*']
86 Iba 2-amino-4-iminobutanoic acid NaN C4H8N2O2 C(C=N)C(C(=O)O)N ['Dab*', 'Dab*']
87 Dab 2,4-diaminobutyric acid NRPS C4H10N2O2 NCCC(N)C(=O)O ['Dab*', 'Dab*']
88 D-Dab D-2,4-diaminobutyric acid NRPS C4H10N2O2 NCCC(N)C(=O)O ['Dab*', 'Dab*']
89 Dap Dolaproine unknown C9H17NO3 COC(C(C)C(O)=O)C1CCCN1 ['Dap*', 'Dap*']
90 dDap O-desmethyldolaproine unknown C8H15NO3 CC(C(=O)O)C(O)C1CCCN1 ['Dap*', 'Dap*']
91 L-Dbu (2S,3S)-2,3-diaminobutyric acid NRPS C4H10N2O2 CC(N)C(N)C(=O)O ['Dbu*', 'Dbu*']
92 D-Dbu (2R,3R)-2,3-diaminobutyric acid NRPS C4H10N2O2 CC(N)C(N)C(=O)O ['Dbu*', 'Dbu*']
93 Dbu (2S)-2,3-diaminobutyric acid NRPS C4H10N2O2 CC(N)C(N)C(=O)O ['Dbu*', 'Dbu*']
94 dDil N-desmethyldolaisoleucine unknown C9H19NO3 CCC(C)C(N)C(CC(O)=O)OC ['Dil*', 'Dil*']
95 Dil Dolaisoleucine unknown C10H21NO3 CCC(C)C(NC)C(CC(O)=O)OC ['Dil*', 'Dil*']
96 Dpr 2,3-Diaminopropionic acid NRPS C3H8N2O2 NCC(N)C(=O)O ['Dpr*', 'Dpr*']
97 NAc-Dpr N1-acetyl-2,3-Diaminopropionic acid unknown C5H10N2O3 CC(=O)NC(CN)C(=O)O ['Dpr*', 'Dpr*']
98 NFo-Dpr N1-formyl-2,3-Diaminopropionic acid unknown C4H8N2O3 NCC(NC=O)C(=O)O ['Dpr*', 'Dpr*']
99 D-End D-enduracididine NRPS C6H12N4O2 N=C1NCC(CC(N)C(O)=O)N1 ['End*', 'End*']
100 End enduracididine NRPS C6H12N4O2 N=C1NCC(CC(N)C(O)=O)N1 ['End*', 'End*']
101 C12:0 dodecanoic acid FAS C12H24O2 CCCCCCCCCCCC(=O)O ['FA*', 'FA']
102 Isovaleric_acid 3-methylbutanoic acid NaN C5H10O2 CC(C)CC(=O)O ['FA*', 'FA']
103 iC9:2(2.t4) 2,trans4-7-methyl-octenoic acid FAS C9H14O2 CC(C)CC=CC=CC(=O)O ['FA*', 'FA']
104 iC9:0 7-methyloctanoic acid FAS C9H18O2 CC(C)CCCCCC(=O)O ['FA*', 'FA']
105 iC8:0 6-methylheptanoic acid FAS C8H16O2 CC(C)CCCCC(=O)O ['FA*', 'FA']
106 iC7:0 5-methyl-hexanoic acid FAS C7H14O2 CC(C)CCCC(=O)O ['FA*', 'FA']
107 iC5:0-OH(2)-CA(4) 2-hydroxy-3-methyl-butanedioic acid unknown C5H8O5 CC(C(=O)O)C(O)C(=O)O ['FA*', 'FA']
108 aC9:0-OH(2)-NH2(3) alpha-hydroxy-6-methyl-3-aminooctanoic acid unknown C9H19NO3 CCC(C)CCC(N)C(O)C(=O)O ['FA*', 'FA']
109 iC17:0-NH2(3) 3-amino-15-methyl-hexadecanoic acid FAS C17H35NO2 CC(C)CCCCCCCCCCCC(N)CC(O)=O ['FA*', 'FA']
110 iC16:0-NH2(3) 3-amino-14-methyl-pentadecanoic acid FAS C16H33NO2 CC(C)CCCCCCCCCCC(N)CC(O)=O ['FA*', 'FA']
111 iC15:0-NH2(3) 3-amino-13-methyl-tetradecanoic acid FAS C15H31NO2 CC(C)CCCCCCCCCC(N)CC(O)=O ['FA*', 'FA']
112 iC14:1(3) 12-methyl-3-tridecenoic acid FAS C14H26O2 CC(C)CCCCCCCC=CCC(O)=O ['FA*', 'FA']
113 iC14:0-NH2(3) 3-amino-12-methyl-tridecanoic acid FAS C14H29NO2 CC(C)CCCCCCCCC(N)CC(=O)O ['FA*', 'FA']
114 aC9:0 6-methyloctanoic acid FAS C9H18O2 CCC(C)CCCCC(=O)O ['FA*', 'FA']
115 Tig tiglic acid FAS C5H8O2 CC=C(C)C(=O)O ['FA*', 'FA']
116 iC14:0 12-methyl-tridecanoic acid FAS C14H28O2 CC(C)CCCCCCCCCCC(=O)O ['FA*', 'FA']
117 aC17:0-NH2(3) 3-amino-14-methyl-hexadecanoic acid FAS C17H35NO2 CCC(C)CCCCCCCCCCC(N)CC(O)=O ['FA*', 'FA']
118 iC13:1(3) 11-methyl-3-dodecenoic acid FAS C13H24O2 CC(C)CCCCCCC=CCC(O)=O ['FA*', 'FA']
119 iC13:0 11-methyldodecanoic acid FAS C13H26O2 CC(C)CCCCCCCCCC(=O)O ['FA*', 'FA']
120 iC12:2(2.t4) 10-methyl-2,trans4-undecanoic acid FAS C12H20O2 CC(C)CCCCC=CC=CC(O)=O ['FA*', 'FA']
121 iC12:0 10-methylundecanoic acid FAS C12H24O2 CC(C)CCCCCCCCC(=O)O ['FA*', 'FA']
122 aC15:1(3) 12-methyl-3-tetradecenoic acid FAS C15H28O2 CCC(C)CCCCCCCC=CCC(O)=O ['FA*', 'FA']
123 iC11:0 9-methyldecanoic acid FAS C11H22O2 CC(C)CCCCCCCC(=O)O ['FA*', 'FA']
124 iC10:2(2.t4) 2,trans4-8-methyl-noneoic acid FAS C10H16O2 CC(C)CCC=CC=CC(O)=O ['FA*', 'FA']
125 iC10:0 8-methylnonanoic acid FAS C10H20O2 CC(C)CCCCCCC(=O)O ['FA*', 'FA']
126 aC15:0-NH2(3) 3-amino-12-methyl-tetradecanoic acid FAS C15H31NO2 CCC(C)CCCCCCCCC(N)CC(O)=O ['FA*', 'FA']
127 aC15:0 12-methyltetradecanoic acid FAS C15H30O2 CCC(C)CCCCCCCCCCC(=O)O ['FA*', 'FA']
128 aC13:2(2.t4) 10-methyl-2,trans4-dodecenoic acid FAS C13H22O2 CCC(C)CCCCC=CC=CC(O)=O ['FA*', 'FA']
129 aC13:1(3) 10-methyl-3-dodecenoic acid FAS C13H24O2 CCC(C)CCCCCC=CCC(O)=O ['FA*', 'FA']
130 aC13:0 10-methyldodecanoic acid FAS C13H26O2 CCC(C)CCCCCCCCC(=O)O ['FA*', 'FA']
131 C10:0 decanoic acid FAS C10H20O2 CCCCCCCCCC(=O)O ['FA*', 'FA']
132 C10:0-NH2(2)-oxo(8) 2-amino-8-oxo-decanoic acid unknown C10H19NO3 CCC(=O)CCCCCC(N)C(=O)O ['FA*', 'FA']
133 C10:0-OH(2)-NH2(3) 3-amino-2-hydroxy decanoic acid NaN C10H21NO3 CCCCCCCC(N)C(O)C(=O)O ['FA*', 'FA']
134 C10:0-OH(8)-NH2(2) 8-hydroxy-2-amino-decanoic acid unknown C10H21NO3 CCC(O)CCCCCC(N)C(=O)O ['FA*', 'FA']
135 C10:0-OH(9)-NH2(2) 9-hydroxy-2-amino-decanoic acid unknown C10H21NO3 CC(O)CCCCCCC(N)C(=O)O ['FA*', 'FA']
136 C10:0-OH(9)-NH2(2)-oxo(8) 9-hydroxy-2-amino-8-oxo-decanoic acid unknown C10H19NO4 CC(O)C(=O)CCCCCC(N)C(=O)O ['FA*', 'FA']
137 C10:0-oxo(3) 3-oxo-decanoic acid NaN C10H18O3 CCCCCCCC(=O)CC(O)=O ['FA*', 'FA']
138 C12:1(5) 2-methyl-5-dodecenoic acid FAS C12H22O2 CCCCCCC=CCCCC(=O)O ['FA*', 'FA']
139 C13:0-NH2(3) 3-amino-tridecanoic acid FAS C13H27NO2 CCCCCCCCCCC(N)CC(O)=O ['FA*', 'FA']
140 C14:0 tetradecanoic acid FAS C14H28O2 CCCCCCCCCCCCCC(=O)O ['FA*', 'FA']
141 C14:0-NH2(3) 3-amino-tetradecanoic acid FAS C14H29NO2 CCCCCCCCCCCC(N)CC(=O)O ['FA*', 'FA']
142 C14:1(7) 7-tetradecenoic acid FAS C14H26O2 CCCCCCC=CCCCCCC(O)=O ['FA*', 'FA']
143 C15:0-NH2(3) 3-amino-pentadecanoic acid FAS C15H31NO2 CCCCCCCCCCCCC(N)CC(O)=O ['FA*', 'FA']
144 C16:0 hexadecanoic acid FAS C16H32O2 CCCCCCCCCCCCCCCC(=O)O ['FA*', 'FA']
145 C16:0-NH2(3) 3-amino-hexadecanoic acid FAS C16H33NO2 CCCCCCCCCCCCCC(N)CC(=O)O ['FA*', 'FA']
146 C16:1(7) 7-hexadecenoic acid FAS C16H30O2 CCCCCCCCC=CCCCCCC(=O)O ['FA*', 'FA']
147 C16:1(9) 9-hexadecenoic acid FAS C16H30O2 CCCCCCC=CCCCCCCCC(=O)O ['FA*', 'FA']
148 C18:1(9) 9-octadecenoic acid FAS C18H34O2 CCCCCCCCC=CCCCCCCCC(=O)O ['FA*', 'FA']
149 C4:0 butanoic acid unknown C4H8O2 CCCC(=O)O ['FA*', 'FA']
150 C4:0-OH(2.3.4) 2,3,4-trihydroxy-butanoic acid unknown C4H8O5 OCC(O)C(O)C(=O)O ['FA*', 'FA']
151 C6:0 hexanoic acid FAS C6H12O2 CCCCCC(=O)O ['FA*', 'FA']
152 C6:0-OH(3.5)-NH2(4) 3.5-hydroxy-4-amino-hexadecanoic acid unknown C6H13NO4 CC(O)C(N)C(O)CC(O)=O ['FA*', 'FA']
153 C7:0 heptanoic acid FAS C7H14O2 CCCCCCC(=O)O ['FA*', 'FA']
154 C8:0 octanoic acid FAS C8H16O2 CCCCCCCC(=O)O ['FA*', 'FA']
155 C8:0:1(7) oct-7-ynoic acid unknown C8H12O2 C#CCCCCCC(=O)O ['FA*', 'FA']
156 aC10:0 7-methylnonanoic acid FAS C10H20O2 CCC(C)CCCCCC(=O)O ['FA*', 'FA']
157 aC11:0 8-methyldecanoic acid FAS C11H22O2 CCC(C)CCCCCCC(=O)O ['FA*', 'FA']
158 C8:2(2.t4) 2,trans4-octenoic acid FAS C8H12O2 CCCC=CC=CC(=O)O ['FA*', 'FA']
159 C9:0 nonanoic acid FAS C9H18O2 CCCCCCCCC(=O)O ['FA*', 'FA']
160 C9:1(4)-Me(2.4.6)-OH(8) 8-hydroxy-2,4,6-trimethyl-4-nonenoic acid unknown C12H22O3 CC(O)CC(C)C=C(C)CC(C)C(O)=O ['FA-OH*', 'FA']
161 aC11:2(4.6)-Me(2.6)-OH(2.3) 2,3-dihydroxy-2,6,8-trimethyldeca-(4Z,6E)-dienoic acid unknown C13H22O4 CCC(C)C=C(C)C=CC(O)C(C)(O)C(O)=O ['FA-OH*', 'FA']
162 aC13:0-OH(3) 3-hydroxy-10-methyl-dodecanoic acid FAS C13H26O3 CCC(C)CCCCCCC(O)CC(O)=O ['FA-OH*', 'FA']
163 aC15:0-OH(3) 3-hydroxy-12-methyl-tetradecanoic acid FAS C15H30O3 CCC(C)CCCCCCCCC(O)CC(O)=O ['FA-OH*', 'FA']
164 aC17:0-OH(3) 3-hydroxy-14-methyl-hexadecanoic acid FAS C17H34O3 CCC(C)CCCCCCCCCCC(O)CC(O)=O ['FA-OH*', 'FA']
165 aC6:0-OH(2.3) 2,3-dihydroxy-3-methylpentanoic acid FAS C6H12O4 CCC(C)(O)C(O)C(=O)O ['FA-OH*', 'FA']
166 aC9:0-OH(3) 3-hydroxy-6-methyloctanoic acid FAS C9H18O3 CCC(C)CCC(O)CC(=O)O ['FA-OH*', 'FA']
167 C10:0-OH(3) 3-hydroxy-decanoic acid FAS C10H20O3 CCCCCCCC(O)CC(=O)O ['FA-OH*', 'FA']
168 C11:0-OH(3) 3-hydroxy-undecanoic acid FAS C11H22O3 CCCCCCCCC(O)CC(=O)O ['FA-OH*', 'FA']
169 C11:2(t2.t8)-Me(2.6.8)-OH(5.7) 2,6,8-trimethyl-5,7-dihydroxy-trans2,trans8-undecenoic acid unknown C14H24O4 CCC=C(C)C(O)C(C)C(O)CC=C(C)C(O)=O ['FA-OH*', 'FA']
170 C12:0-OH(3) 3-hydroxy-dodecanoic acid FAS C12H24O3 CCCCCCCCCC(O)CC(=O)O ['FA-OH*', 'FA']
171 C12:1(5)-OH(3) 3-hydroxy-5-dodecenoic acid FAS C12H22O3 CCCCCCC=CCC(O)CC(O)=O ['FA-OH*', 'FA']
172 C13:0-OH(3) 3-hydroxy-tridecanoic acid FAS C13H26O3 CCCCCCCCCCC(O)CC(=O)O ['FA-OH*', 'FA']
173 C13:2(t4.t6)-OH(2.3) 2,3-dihydroxy-trans4,trans6-tridecenoic acid unknown C13H22O4 CCCCCCC=CC=CC(O)C(O)C(O)=O ['FA-OH*', 'FA']
174 C14:0-OH(3) 3-hydroxy-tetradecanoic acid FAS C14H28O3 CCCCCCCCCCCC(O)CC(=O)O ['FA-OH*', 'FA']
175 C14:0-OH(3.4) 3,4-dihydroxy-tetradecanoic acid FAS C14H28O4 CCCCCCCCCCC(O)C(O)CC(=O)O ['FA-OH*', 'FA']
176 C14:2(t4.t6)-OH(2.3) 2,3-dihydroxy-trans4,trans6-tetradecenoic acid unknown C14H24O4 CCCCCCCC=CC=CC(O)C(O)C(O)=O ['FA-OH*', 'FA']
177 C15:0-OH(3) 3-hydroxy-pentadecanoic acid FAS C15H30O3 CCCCCCCCCCCCC(O)CC(=O)O ['FA-OH*', 'FA']
178 C15:2(t4.t6)-OH(2.3) 2,3-dihydroxy-trans4,trans6-pentadecenoic acid unknown C15H26O4 CCCCCCCCC=CC=CC(O)C(O)C(O)=O ['FA-OH*', 'FA']
179 C16:0-OH(3) 3-hydroxy-hexadecanoic acid FAS C16H32O3 CCCCCCCCCCCCCC(O)CC(=O)O ['FA-OH*', 'FA']
180 C16:0-OH(3.4) 3,4-dihydroxy-hexadecanoic acid FAS C16H32O4 CCCCCCCCCCCCC(O)C(O)CC(=O)O ['FA-OH*', 'FA']
181 C16:1(9)-OH(3) 3-hydroxy-9-hexadecenoic acid FAS C16H30O3 CCCCCCC=CCCCCCC(O)CC(O)=O ['FA-OH*', 'FA']
182 C18:1(9)-OH(3) 3-hydroxy-9-octadecenoic acid FAS C18H34O3 CCCCCCCCC=CCCCCCC(O)CC(O)=O ['FA-OH*', 'FA']
183 C4:0-OH(2.3) 2,3-dihydroxy-butanoic acid unknown C4H8O4 CC(O)C(O)C(=O)O ['FA-OH*', 'FA']
184 C4:0-OH(3) 3-hydroxybutanoic acid unknown C4H8O3 CC(O)CC(=O)O ['FA-OH*', 'FA']
185 C4:1(3)-OH(2) 2-hydroxy-3-butenoic acid unknown C4H6O3 C=CC(O)C(=O)O ['FA-OH*', 'FA']
186 C5:1(4)-OH(2) beta-vinyllactic acid NaN C5H8O3 C=CCC(O)C(=O)O ['FA-OH*', 'FA']
187 C6:0-OH(3) 3-hydroxy-hexanoic acid FAS C6H12O3 CCCC(O)CC(=O)O ['FA-OH*', 'FA']
188 C7:0-OH(3) 3-hydroxy-heptanoic acid unknown C7H14O3 CCCCC(O)CC(=O)O ['FA-OH*', 'FA']
189 C8:0-OH(3) 3-hydroxy-octanoic acid FAS C8H16O3 CCCCCC(O)CC(=O)O ['FA-OH*', 'FA']
190 C8:1(7)-Me(2.2)-OH(3) 2,2-dimethyl-3-hydroxy-7-octenoic acid unknown C10H18O3 C=CCCCC(O)C(C)(C)C(O)=O ['FA-OH*', 'FA']
191 C9:0-OH(3) 3-hydroxy-nonanoic acid FAS C9H18O3 CCCCCCC(O)CC(=O)O ['FA-OH*', 'FA']
192 iC11:0-OH(3) 3-hydroxy-9-methyl-decanoic acid FAS C11H22O3 CC(C)CCCCCC(O)CC(=O)O ['FA-OH*', 'FA']
193 iC12:0-OH(3) 3-hydroxy-10-methyl-undecanoic acid FAS C12H24O3 CC(C)CCCCCCC(O)CC(=O)O ['FA-OH*', 'FA']
194 iC13:0-OH(3) 3-hydroxy-11-methyl-dodecanoic acid FAS C13H26O3 CC(C)CCCCCCCC(O)CC(=O)O ['FA-OH*', 'FA']
195 iC14:0-OH(3) 3-hydroxy-12-methyl-tridecanoic acid FAS C14H28O3 CC(C)CCCCCCCCC(O)CC(=O)O ['FA-OH*', 'FA']
196 iC15:0-OH(3) 3-hydroxy-13-methyl-tetradecanoic acid FAS C15H30O3 CC(C)CCCCCCCCCC(O)CC(=O)O ['FA-OH*', 'FA']
197 iC16:0-OH(3) 3-hydroxy-14-methyl-pentadecanoic acid FAS C16H32O3 CC(C)CCCCCCCCCCC(O)CC(O)=O ['FA-OH*', 'FA']
198 iC17:0-OH(3) 3-hydroxy-15-methyl-hexadecanoic acid FAS C17H34O3 CC(C)CCCCCCCCCCCC(O)CC(=O)O ['FA-OH*', 'FA']
199 iC5:0-OH(2.3) 2,3-dihydroxy-3-methyl-butanoic acid unknown C5H10O4 CC(C)(O)C(O)C(=O)O ['FA-OH*', 'FA']
200 iC5:0-OH(2.4) 2,4-dihydroxy-3-methyl-butanoic acid unknown C5H10O4 CC(CO)C(O)C(=O)O ['FA-OH*', 'FA']
201 iC6:0-OH(2.4) 2,4-dihydroxy-4-methylpentanoic acid NaN C6H12O4 CC(C)(O)CC(O)C(=O)O ['FA-OH*', 'FA']
202 iC9:0-OH(3) 3-hydroxy-7-methyl-octanoic acid FAS C9H18O3 CC(C)CCCC(O)CC(=O)O ['FA-OH*', 'FA']
203 C5:0-OH(2)-Ep(4) 2-hydroxy-3-(oxiran-2-yl)propanoic acid NaN C5H8O4 O=C(O)C(O)CC1CO1 ['FAD*', 'FA']
204 C9:1(Me4)-Me(2.4.6)-OH(8)-Oxo(5) 5-oxo-8-hydroxy-2,4,6-trimethyl-4-nonaneic acid unknown C12H20O4 CC(O)CC(C)C(=O)C(=C)CC(C)C(O)=O ['FAD*', 'FA']
205 C8:2(5.7)-Me(6)-OH(4)-NH2(3)-brPh(8) 3-amino-4-hydroxy-6-methyl-8-(p-bromophenyl)-5,7-octadienoic acid unknown C15H18BrNO3 CC(C=Cc1ccc(cc1)Br)=CC(O)C(N)CC(=O)O ['FAD*', 'FA']
206 C6:0-Ep(2) 2-epoxy-hexanoic acid FAS C6H10O3 CCCC1OC1(C(=O)O) ['FAD*', 'FA']
207 C6:0-Me(2.2)-OH(3) 2,2-dimethyl-3-hydroxyhexanoic acid unknown C8H16O3 CCCC(O)C(C)(C)C(=O)O ['FAD*', 'FA']
208 C6:0-Me(2)-NH2(3) 2-methyl-3-aminohexadecanoic acid unknown C7H15NO2 CCCC(N)C(C)C(=O)O ['FAD*', 'FA']
209 C6:0-Me(5.5)-oxo(2) 5,5-dimethyl-2-oxo-hexanoic acid unknown C8H14O3 CC(C)(C)CCC(=O)C(=O)O ['FAD*', 'FA']
210 C10:0-Me(4)-OH(3) 3-hydroxy-4-methyl-decanoic acid FAS C11H22O3 CCCCCCC(C)C(O)CC(O)=O ['FAD*', 'FA']
211 C8:2(5.7)-Me(6)-OH(4)-NH2(3)-Ph(8) 3-amino-4-hydroxy-6-methyl-8-phenyl-5,7-octadienoic acid unknown C15H19NO3 CC(C=Cc1ccccc1)=CC(O)C(N)CC(=O)O ['FAD*', 'FA']
212 C6:0-OMe(3) 3-methoxy-hexanoic acid unknown C7H14O3 CCCC(CC(=O)O)OC ['FAD*', 'FA']
213 C10:0-Me(2)-OH(3) 3-hydroxy-2-methyl-decanoic acid unknown C11H22O3 CCCCCCCC(O)C(C)C(=O)O ['FAD*', 'FA']
214 C10:0-Me(2.2.4)-OH(3)-OMe(7) 3-hydroxy-2,2,4-trimethyl-7-methoxydecanoic acid unknown C14H28O4 CCCC(CCC(C)C(O)C(C)(C)C(O)=O)OC ['FAD*', 'FA']
215 C7:0-Me(2)-OH(3) 3-hydroxy-2-methyl-heptanoic acid unknown C8H16O3 CCCCC(O)C(C)C(O)=O ['FAD*', 'FA']
216 C10:0-Me(2.4)-oxo(9) 9-oxo-2,4-dimethyldecanoic acid unknown C12H22O3 CC(=O)CCCCC(C)CC(C)C(=O)O ['FAD*', 'FA']
217 iC8:0-Me(2.4)-OH(3) 2,4,6-trimethyl-3-hydroxy-heptanoic acid unknown C10H20O3 CC(C)CC(C)C(O)C(C)C(=O)O ['FAD*', 'FA']
218 C9:0-Me(2)-OH(3) 3-hydroxy-2-methyl-nonanoic acid unknown C10H20O3 CCCCCCC(O)C(C)C(=O)O ['FAD*', 'FA']
219 C8:0:1(7)-Me(2) 2-methylact-7-ynoic acid unknown C9H14O2 C#CCCCCC(C)C(O)=O ['FAD*', 'FA']
220 C8:0:1(7)-Me(2.2)-OH(3) 2,2-dimethyl-3-hydroxy-7-octynoic acid unknown C10H16O3 C#CCCCC(O)C(C)(C)C(O)=O ['FAD*', 'FA']
221 C8:0:1(7)-Me(2)-NH2(3) 3-amino-2-methyloct-7-ynoic acid unknown C9H15NO2 C#CCCCC(N)C(C)C(=O)O ['FAD*', 'FA']
222 C8:0:1(7)-Me(2)-OH(3) 2-methyl-3-hydroxy-7-octynoic acid unknown C9H14O3 C#CCCCC(O)C(C)C(O)=O ['FAD*', 'FA']
223 C8:0-Me(2.2)-OH(3) 2,2-dimethyl-3-hydroxy-octanoic acid unknown C10H20O3 CCCCCC(O)C(C)(C)C(O)=O ['FAD*', 'FA']
224 C8:0-Me(4)-OH(3) 4-methyl-3-hydroxy-octanoic acid FAS C9H18O3 CCCCC(C)C(O)CC(=O)O ['FAD*', 'FA']
225 C10:0-Me(2.2.4)-OH(3.7) 3-hydroxy-2,2,4-trimethyl-7-hydroxydecanoic acid unknown C13H26O4 CCCC(O)CCC(C)C(O)C(C)(C)C(=O)O ['FAD*', 'FA']
226 C12:3(7.9.11)-Me(6)-OH(2.4.5)-NH2(3)-Ph(12) 3-amino-6-methyl-12-phenyl-2,4,5-trihydroxydodeca-7,9,11-trienoic acid unknown C19H25NO5 CC(C=CC=CC=Cc1ccccc1)C(O)C(O)C(N)C(O)C(O)=O ['FAD*', 'FA']
227 C10:0:1(9)-Me(2.4) 2,4-dimethyl-dec-9-ynoic acid unknown C12H20O2 C#CCCCCC(C)CC(C)C(=O)O ['FAD*', 'FA']
228 C12:3(7.9.11)-Me(6.10)-OH(2.4.5)-NH2(3)-Ph(12) 3-amino-6,10-dimethyl-12-phenyl-2,4,5-trihydroxydodeca-7,9,11-trienoic acid unknown C20H27NO5 CC(=CC=CC(C)C(O)C(O)C(N)C(O)C(O)=O)C=Cc1ccccc1 ['FAD*', 'FA']
229 C8:1(7)-OH(2.4.5)-NH2(3)-Ph(8) 3-amino-8-phenyl-2.4.5-trihydroxyoct-7-enoic acid unknown C14H19NO5 NC(C(O)C(O)=O)C(O)C(O)CC=Cc1ccccc1 ['FAD*', 'FA']
230 C4:0-Me(2) 2-methyl-butanoic acid FAS C5H10O2 CCC(C)C(=O)O ['FAD*', 'FA']
231 C12:1(11)-Me(6)-OH(2.4.5)-NH2(3)-mPhe(11) 3-amino-6-methyl-12-(p-methoxyphenyl)-2,4,5-trihydroxydodec-11-enoic acid unknown C20H31NO6 COc1ccc(C=CCCCCC(C)C(O)C(O)C(N)C(O)C(O)=O)cc1 ['FAD*', 'FA']
232 C9:1(8)-Me(2) 2-methyl-8-noneic acid unknown C10H18O2 C=CCCCCCC(C)C(=O)O ['FAD*', 'FA']
233 C4:0-OH(2.3)-Cl(4) 2,3-dihydroxy-4-chloro-butanoic acid unknown C4H7ClO4 O=C(O)C(O)C(O)CCl ['FAD*', 'FA']
234 C4:0-OH(2)-Ep(3) 2-hydroxy-3-epoxy-butanoic acid unknown C4H6O4 O=C(O)C(O)C1CO1 ['FAD*', 'FA']
235 C11:0-Me(2)-OH(3) 3-hydroxy-2-methyl-undecanoic acid unknown C12H24O3 CCCCCCCCC(O)C(C)C(=O)O ['FAD*', 'FA']
236 C10:2(7.9)-OH(2.4.5)-NH2(3)-ePh(10) 3-amino-10-(p-ethoxyphenyl)-2,4,5-trihydroxydeca-7,9-dienoic acid unknown C18H25NO6 CCOc1ccc(C=CC=CCC(O)C(O)C(N)C(O)C(O)=O)cc1 ['FAD*', 'FA']
237 C10:0-NH2(2)-Ep(9)-oxo(8) 2-amino-9,10-epoxi-8-oxodecanoic acid unknown C10H17NO4 NC(CCCCCC(=O)C1CO1)C(=O)O ['FAD*', 'FA']
238 Gln Glutamine NRPS C5H10N2O3 NC(=O)CCC(N)C(=O)O ['Gln*', 'Glx']
239 3Me-4Me-Gln 3,4-dimethylglutamine unknown C7H14N2O3 CC(C(C)C(N)C(O)=O)C(N)=O ['Gln*', 'Glx']
240 D-Gln D-Glutamine NRPS C5H10N2O3 NC(=O)CCC(N)C(=O)O ['Gln*', 'Glx']
241 NFo-Gln N-formyl-Glutamine NRPS C6H10N2O4 NC(=O)CCC(NC=O)C(=O)O ['Gln*', 'Glx']
242 bOH-Gln beta-hydroxyglutamine NRPS C5H10N2O4 NC(=O)CC(O)C(N)C(=O)O ['Gln*', 'Glx']
243 NMe-Gln N-methylglutamine NRPS C6H12N2O CNC(CCC(N)=O)C(=O)O ['Gln*', 'Glx']
244 bMe-Gln beta-methylglutamine NRPS C6H12N2O3 CC(CC(N)=O)C(N)C(=O)O ['Gln*', 'Glx']
245 D-bMe-Gln D-beta-methylglutamine NRPS C6H12N2O3 CC(CC(N)=O)C(N)C(=O)O ['Gln*', 'Glx']
246 Glu Glutamic Acid NRPS C5H9NO4 NC(CCC(=O)O)C(=O)O ['Glu*', 'Glx']
247 D-Glu D-Glutamic Acid NRPS C5H9NO4 NC(CCC(=O)O)C(=O)O ['Glu*', 'Glx']
248 MeO-Glu Glutamic Acid methyl ester NRPS C6H11NO4 COC(=O)CCC(N)C(=O)O ['Glu*', 'Glx']
249 3Me-Glu 3-Methyl-Glutamic acid NRPS C6H11NO4 CC(CC(=O)O)C(N)C(=O)O ['Glu*', 'Glx']
250 2Me-3Me-pGlu 2,3-dimethylpyroglutamic acid unknown C7H11NO3 CC1C(C)C(NC1(=O))C(=O)O ['Glu*', 'Glx']
251 pGlu pyroglutamic acid NRPS C5H7NO3 O=C(O)C1CCC(=O)N1 ['Glu*', 'Glx']
252 D-MeO-Glu D-Glutamic Acid methyl ester NRPS C6H11NO4 COC(=O)CCC(N)C(=O)O ['Glu*', 'Glx']
253 MeO-D-Glu D-Glutamic Acid methyl ester NRPS C6H11NO4 COC(=O)CCC(N)C(=O)O ['Glu*', 'Glx']
254 Hysp hydroxysecbutyl acetyl propionyl unknown C9H16O4 CCC(C)C(O)C(=O)C(C)C(=O)O ['Hap*', 'Hap*']
255 Hip hydroxyisovalerylpropionyl unknown C8H14O4 CC(C)C(O)C(=O)C(C)C(=O)O ['Hap*', 'Hap*']
256 Hap hydroxyacetyl propionyl unknown C5H8O4 CC(C(=O)O)C(=O)CO ['Hap*', 'Hap*']
257 OH-His Hydroxyhistidine NRPS C6H9N3O3 NC(C(=O)O)C(O)c1cnc[nH]1 ['His*', 'His*']
258 His Histidine NRPS C6H9N3O2 NC(Cc1cnc[nH]1)C(=O)O ['His*', 'His*']
259 Hiv 2-hydroxyisovalerate NRPS C5H10O3 CC(C)C(O)C(=O)O ['Hiv*', 'Hiv*']
260 D-Hiv D-2-hydroxyisovalerate NRPS C5H10O3 CC(C)C(O)C(=O)O ['Hiv*', 'Hiv*']
261 D-Dhpg D-3,5-dihydroxyphenylglycine NRPS C8H9NO4 NC(C(=O)O)c1cc(O)cc(O)c1 ['Hpg*', 'Hpg*']
262 D-OH-dHpg D-N-hydroxy-dehydro-HydroxyPhenylGlycine NRPS C8H7NO4 ON=C(C(=O)O)c1ccc(O)cc1 ['Hpg*', 'Hpg*']
263 Cl-Hpg 3-chloro-4-hydroxyphenylglycine NRPS C8H8ClNO3 NC(C(=O)O)c1ccc(O)c(c1)Cl ['Hpg*', 'Hpg*']
264 Hpg HydroxyPhenylGlycine NRPS C8H9NO3 NC(C(=O)O)c1ccc(O)cc1 ['Hpg*', 'Hpg*']
265 Dhpg 3,5-dihydroxyphenylglycine NRPS C8H9NO4 NC(C(=O)O)c1cc(O)cc(O)c1 ['Hpg*', 'Hpg*']
266 D-Hpg D-HydroxyPhenylGlycine NRPS C8H9NO3 NC(C(=O)O)c1ccc(O)cc1 ['Hpg*', 'Hpg*']
267 Cl2-Hpg 3,5-dichloro-4-hydroxyphenylglycine NRPS C8H7Cl2NO3 NC(C(=O)O)c1cc(c(O)c(c1)Cl)Cl ['Hpg*', 'Hpg*']
268 NMe-Hpg N-methyl-HydroxyPhenylGlycine NRPS C9H11NO3 CNC(C(=O)O)c1ccc(O)cc1 ['Hpg*', 'Hpg*']
269 OH-dHpg N-hydroxy-dehydro-HydroxyPhenylGlycine NRPS C8H7NO4 ONC(C(=O)O)=C1C=CC(=O)C=C1 ['Hpg*', 'Hpg*']
270 D-Kyn D-kynurenine NRPS C10H12N2O3 NC(CC(=O)c1ccccc1(N))C(=O)O ['Kyn*', 'Kyn*']
271 Kyn kynurenine NRPS C10H12N2O3 NC(CC(=O)c1ccccc1(N))C(=O)O ['Kyn*', 'Kyn*']
272 4OH-D-Ph-Lac 4-hydroxy-D-phenyl-lactate NRPS C9H10O4 Oc1ccc(cc1)CC(O)C(=O)O ['Lac*', 'Lac*']
273 Ph-Lac Phenyl-lactate unknown C9H10O3 O=C(O)C(O)Cc1ccccc1 ['Lac*', 'Lac*']
274 Lac Lactic acid NRPS C3H6O3 CC(O)C(=O)O ['Lac*', 'Lac*']
275 D-Ph-Lac D-Phenyl-lactate NRPS C9H10O3 O=C(O)C(O)Cc1ccccc1 ['Lac*', 'Lac*']
276 D-Lac D-lactic acid NRPS C3H6O3 CC(O)C(=O)O ['Lac*', 'Lac*']
277 bLys beta lysine NRPS C6H14N2O2 NCCCC(N)CC(=O)O ['Lys*', 'Lys*']
278 Lys Lysine NRPS C6H14N2O2 NCCCCC(N)C(=O)O ['Lys*', 'Lys*']
279 D-Lys D-Lysine NRPS C6H14N2O2 NCCCCC(N)C(=O)O ['Lys*', 'Lys*']
280 NFo-Lys N-formyl-lysine NaN C7H14N2O3 NCCCCC(NC=O)C(=O)O ['Lys*', 'Lys*']
281 D-NFo-Lys D-N-formyl-lysine NaN C7H14N2O3 NCCCCC(NC=O)C(=O)O ['Lys*', 'Lys*']
282 OH-bLys hydroxy-beta lysine NRPS C6H14N2O3 NCCC(O)C(N)CC(O)=O ['Lys*', 'Lys*']
283 bbMe2-O-Met beta,beta-dimethyl-Methionine-S-oxide NRPS C7H15NO3S CC(C)(CS(C)=O)C(N)C(=O)O ['Met*', 'Met*']
284 O2-Met Methionine sulfone NRPS C5H11NO4S CS(=O)(=O)CCC(N)C(=O)O ['Met*', 'Met*']
285 O-Met Methionine-S-oxide NRPS C5H11NO3S CS(=O)CCC(N)C(=O)O ['Met*', 'Met*']
286 Met Methionine NRPS C5H11NO2S CSCCC(N)C(=O)O ['Met*', 'Met*']
287 NFo-D-Abu N-formyl-D-aminobutyric acid unknown C5H9NO3 CCC(NC=O)C(=O)O ['Abu*', 'Nonpolar']
288 OH-4Abu 4-amino-3-hydroxybutyric acid unknown C4H9NO3 NCC(O)CC(=O)O ['Abu*', 'Nonpolar']
289 D-Abu D-2-Aminobutyric acid NRPS C4H9NO2 CCC(N)C(=O)O ['Abu*', 'Nonpolar']
290 dhAbu 2,3-dehydro-2-aminobutyric acid other C4H7NO2 CC=C(N)C(=O)O ['Abu*', 'Nonpolar']
291 2Dh-Mabu 2-methylamino-2-dehydrobutyric acid NRPS C5H9NO2 CC=C(NC)C(=O)O ['Abu*', 'Nonpolar']
292 Abu 2-Aminobutyric acid NRPS C4H9NO2 CCC(N)C(=O)O ['Abu*', 'Nonpolar']
293 Hil homoisoleucine NRPS C7H15NO2 CCC(C)CC(N)C(=O)O ['Hil*', 'Nonpolar']
294 aIle allo-Isoleucine NRPS C6H13NO2 CCC(C)C(N)C(=O)O ['Ile*', 'Nonpolar']
295 D-aIle D-allo-Isoleucine NRPS C6H13NO2 CCC(C)C(N)C(=O)O ['Ile*', 'Nonpolar']
296 NMe-OMe-Ile N,O-dimethyl-isoleucine unknown C8H17NO2 CCC(C)C(NC)C(=O)OC ['Ile*', 'Nonpolar']
297 D-Ile D-Isoleucine NRPS C6H13NO2 CCC(C)C(N)C(=O)O ['Ile*', 'Nonpolar']
298 diMe-aIle N,gamma-alloisoleucine NRPS C8H17NO2 CNC(C(=O)O)C(C)C(C)C ['Ile*', 'Nonpolar']
299 NMe-OH-Ile N-methyl-hydroxyisoleucine unknown C7H15NO3 CNC(C(O)=O)C(C)CCO ['Ile*', 'Nonpolar']
300 NMe-NAc-Ile N-methyl-N-acetyl-Isoleucine NaN C9H17NO3 CCC(C)C(C(=O)O)N(C)C(C)=O ['Ile*', 'Nonpolar']
301 NMe-Ile N-Methyl-Isoleucine NRPS C7H15NO2 CCC(C)C(NC)C(=O)O ['Ile*', 'Nonpolar']
302 NMe-aIle N-methyl-alloIsoleucine NRPS C7H15NO2 CCC(C)C(NC)C(=O)O ['Ile*', 'Nonpolar']
303 D-NMe-aIle D-N-methyl-alloisoleucine unknown C7H15NO2 CCC(C)C(NC)C(=O)O ['Ile*', 'Nonpolar']
304 Cl-Ile Chloro-Isoleucine unknown C6H12ClNO2 CC(C(N)C(O)=O)C(C)Cl ['Ile*', 'Nonpolar']
305 NFo-Ile N-formyl-Isoleucine NRPS C7H13NO3 CCC(C)C(NC=O)C(=O)O ['Ile*', 'Nonpolar']
306 NAc-Ile N-acetyl-Isoleucine NaN C8H15NO3 CCC(C)C(NC(C)=O)C(=O)O ['Ile*', 'Nonpolar']
307 MeOx-Ile methyloxazoline-isoleucine unknown C10H18N2O3 CCC(C)C(N)C1=NC(C(=O)O)C(C)O1 ['Ile*', 'Nonpolar']
308 Ileol Isoleucinol NRPS C6H15NO CCC(C)C(N)CO ['Ile*', 'Nonpolar']
309 Ile Isoleucine NRPS C6H13NO2 CCC(C)C(N)C(=O)O ['Ile*', 'Nonpolar']
310 bMe-Ile beta-methylisoleucine NRPS C7H15NO2 CCC(C)(C)C(N)C(=O)O ['Ile*', 'Nonpolar']
311 NFo-Leu N-formyl-Leucine NRPS C7H13NO3 CC(C)CC(NC=O)C(=O)O ['Leu*', 'Nonpolar']
312 D-t-Leu D-tert-Leu NRPS C6H13NO2 CC(C)(C)C(N)C(=O)O ['Leu*', 'Nonpolar']
313 t-Leu tert-Leu NRPS C6H13NO2 CC(C)(C)C(N)C(=O)O ['Leu*', 'Nonpolar']
314 Cl3-NMe-Leu tri-chloro-N-methyl-Leucine unknown C7H12Cl3NO2 CNC(CC(C)C(Cl)(Cl)Cl)C(O)=O ['Leu*', 'Nonpolar']
315 Cl3-NMe-dhLeu tri-chloro-N-methyl-dehydroLeucine unknown C7H10Cl3NO2 CNC(=CC(C)C(Cl)(Cl)Cl)C(O)=O ['Leu*', 'Nonpolar']
316 Cl3-5OH-NMe-Leu tri-chloro-5-hydroxy-N-methyl-Leucine unknown C7H12Cl3NO3 CNC(CC(CO)C(Cl)(Cl)Cl)C(O)=O ['Leu*', 'Nonpolar']
317 Cl3-2OH-NMe-Leu tri-chloro-2-hydroxy-N-methyl-Leucine unknown C7H12Cl3NO3 CNC(O)(CC(C)C(Cl)(Cl)Cl)C(O)=O ['Leu*', 'Nonpolar']
318 D-NMe-Leu D-N-methyl-Leucine NRPS C7H15NO2 CNC(CC(C)C)C(=O)O ['Leu*', 'Nonpolar']
319 NMe-bMe-Leu N,beta-dimethylLeucine unknown C8H17NO2 CNC(C(=O)O)C(C)C(C)C ['Leu*', 'Nonpolar']
320 D-Leu D-Leucine NRPS C6H13NO2 CC(C)CC(N)C(=O)O ['Leu*', 'Nonpolar']
321 Leuol Leucinol NRPS C6H15NO CC(C)CC(N)CO ['Leu*', 'Nonpolar']
322 Leu Leucine NRPS C6H13NO2 CC(C)CC(N)C(=O)O ['Leu*', 'Nonpolar']
323 NMe-Leu N-Methyl-Leucine NRPS C7H15NO2 CNC(CC(C)C)C(=O)O ['Leu*', 'Nonpolar']
324 Cl2-NMe-dhLeu di-chloro-N-methyl-dehydroLeucine unknown C7H11Cl2NO2 CNC(=CC(C)C(Cl)Cl)C(O)=O ['Leu*', 'Nonpolar']
325 NtMe-Leu N-trimethyl-leucine NRPS C9H20NO2 CC(C)CC(C(=O)O)N(C)(C)C ['Leu*', 'Nonpolar']
326 k-Leu keto-Leucine unknown C6H10O3 CC(C)CC(=O)C(=O)O ['Leu*', 'Nonpolar']
327 OAc-Leuol O-acetyl-leucinol NRPS C8H17NO2 CC(C)CC(N)COC(C)=O ['Leu*', 'Nonpolar']
328 3OH-Leu 3-hydroxyleucine NRPS C6H13NO3 CC(C)C(O)C(N)C(=O)O ['Leu*', 'Nonpolar']
329 NdMe-Leu N-dimethyl-leucine NRPS C8H17NO2 CC(C)CC(C(=O)O)N(C)C ['Leu*', 'Nonpolar']
330 NAc-Leu N-acetyl-Leucine unknown C8H15NO3 CC(C)CC(NC(C)=O)C(=O)O ['Leu*', 'Nonpolar']
331 Cl2-NMe-Leu di-chloro-N-methyl-Leucine unknown C7H13Cl2NO2 CNC(CC(C)C(Cl)Cl)C(O)=O ['Leu*', 'Nonpolar']
332 Nva Norvaline NRPS C5H11NO2 CCCC(N)C(=O)O ['Nva*', 'Nonpolar']
333 D-Nva D-Norvaline unknown C5H11NO2 CCCC(N)C(=O)O ['Nva*', 'Nonpolar']
334 Et-Nva alpha-ethylnorvaline NRPS C7H15NO2 CCC(CC)C(N)C(=O)O ['Nva*', 'Nonpolar']
335 D-NMe-Nva D-N-methyl-norvaline unknown C6H13NO2 CCCC(NC)C(=O)O ['Nva*', 'Nonpolar']
336 D-Val D-Valine NRPS C5H11NO2 CC(C)C(N)C(=O)O ['Val*', 'Nonpolar']
337 NOMe-Ac-Val N-methoxyacetyl-valine unknown C8H15NO4 COCC(=O)NC(C(C)C)C(=O)O ['Val*', 'Nonpolar']
338 Valol valinol NRPS C5H13NO CC(C)C(N)CO ['Val*', 'Nonpolar']
339 bOH-NMe-Val beta-hydroxy-N-Methyl-Valine NRPS C6H13NO3 CNC(C(=O)O)C(C)(C)O ['Val*', 'Nonpolar']
340 D-NMe-Val D-N-Methylvaline NRPS C6H13NO2 CNC(C(C)C)C(=O)O ['Val*', 'Nonpolar']
341 NFo-Val N-formyl-Valine NRPS C6H11NO3 CC(C)C(NC=O)C(=O)O ['Val*', 'Nonpolar']
342 D-bOH-Val D-beta-hydroxyvaline NRPS C5H11NO3 CC(C)(O)C(N)C(=O)O ['Val*', 'Nonpolar']
343 Ac-Ival N-acetyl-isovaline NRPS C7H13NO3 CCC(C)(NC(C)=O)C(=O)O ['Val*', 'Nonpolar']
344 Ivalol isovalinol NRPS C5H13NO CCC(C)(N)CO ['Val*', 'Nonpolar']
345 gOH-NMe-Val gama-hydroxy-N-Methyl-Valine NRPS C6H13NO3 CNC(C(=O)O)C(C)CO ['Val*', 'Nonpolar']
346 D-Ival D-isovaline NRPS C5H11NO2 CCC(C)(N)C(=O)O ['Val*', 'Nonpolar']
347 Ival isovaline NRPS C5H11NO2 CCC(C)(N)C(=O)O ['Val*', 'Nonpolar']
348 Val Valine NRPS C5H11NO2 CC(C)C(N)C(=O)O ['Val*', 'Nonpolar']
349 NMe-hv-Val N-methyl homo vinylogous Valine unknown C9H17NO2 CNC(C=C(C)C(O)=O)C(C)C ['Val*', 'Nonpolar']
350 bOH-Val beta-hydroxyvaline NRPS C5H11NO3 CC(C)(O)C(N)C(=O)O ['Val*', 'Nonpolar']
351 Ac-Val N-Acetylvaline NRPS C7H13NO3 CC(C)C(NC(C)=O)C(=O)O ['Val*', 'Nonpolar']
352 NMe-Val N-Methyl-Valine NRPS C6H13NO2 CNC(C(C)C)C(=O)O ['Val*', 'Nonpolar']
353 D-OH-Orn D-N5-HydroxyOrnithine NRPS C5H12N2O3 NC(CCCNO)C(=O)O ['Orn*', 'Orn*']
354 D-Ac-OH-Orn D-N-acetyl-HydroxyOrnithine NRPS C7H14N2O4 CC(=O)N(O)CCCC(N)C(=O)O ['Orn*', 'Orn*']
355 D-OH-cOrn D-Hydroxy-cycloOrnithine NRPS C5H10N2O2 NC1CCCN(O)C1(=O) ['Orn*', 'Orn*']
356 D-Orn D-ornithine NRPS C5H12N2O2 NCCCC(N)C(=O)O ['Orn*', 'Orn*']
357 Fo-OH-Orn N6-formyl-HydroxyOrnithine NRPS C6H12N2O4 NC(CCCN(O)C=O)C(=O)O ['Orn*', 'Orn*']
358 D-Fo-OH-Orn D-formyl-hydroxyOrnithine NRPS C6H12N2O4 NC(CCCN(O)C=O)C(=O)O ['Orn*', 'Orn*']
359 Ac-OH-Orn N-acetyl-HydroxyOrnithine NRPS C7H14N2O4 CC(=O)N(O)CCCC(N)C(=O)O ['Orn*', 'Orn*']
360 NAc-Fo-OH-Orn N-acetyl-N6-formyl-N6-hydroxyOrnithine unknown C8H14N2O5 CC(=O)NC(CCCN(O)C=O)C(=O)O ['Orn*', 'Orn*']
361 OH-cOrn Hydroxy-cycloOrnithine NRPS C5H10N2O2 NC1CCCN(O)C1(=O) ['Orn*', 'Orn*']
362 OH-Orn N5-hydroxy ornithine NRPS C5H12N2O3 NC(CCCNO)C(=O)O ['Orn*', 'Orn*']
363 Orn Ornithine NRPS C5H12N2O2 NCCCC(N)C(=O)O ['Orn*', 'Orn*']
364 Hph Homophenylalanine NRPS C10H13NO2 NC(CCc1ccccc1)C(=O)O ['Phe*', 'Phe+Trp']
365 D-bPhe D-beta-phenylalanine NRPS C9H11NO2 NC(CC(=O)O)c1ccccc1 ['Phe*', 'Phe+Trp']
366 bPhe beta phenylalanine NRPS C9H11NO2 NC(CC(=O)O)c1ccccc1 ['Phe*', 'Phe+Trp']
367 NMe-Phe N-Methyl-Phenylalanine NRPS C10H13NO2 CNC(Cc1ccccc1)C(=O)O ['Phe*', 'Phe+Trp']
368 bOH-NMe-Phe beta-hydroxy-N-Methyl-Phenylalanine NRPS C10H13NO3 CNC(C(=O)O)C(O)c1ccccc1 ['Phe*', 'Phe+Trp']
369 bOH-Br-Phe beta-hydroxy-bromophenylalanine unknown C9H10BrNO3 NC(C(=O)O)C(O)c1ccc(cc1)Br ['Phe*', 'Phe+Trp']
370 NOMe-Ac-D-Phe N-methoxyacetyl-D-phenylalanine unknown C12H15NO4 COCC(=O)NC(Cc1ccccc1)C(=O)O ['Phe*', 'Phe+Trp']
371 Ac-Phe N-acetylphenylalanine NRPS C11H13NO3 CC(=O)NC(Cc1ccccc1)C(=O)O ['Phe*', 'Phe+Trp']
372 3Me-Phe 3-methylphenylalanine NRPS C10H13NO2 Cc1cccc(c1)CC(N)C(=O)O ['Phe*', 'Phe+Trp']
373 NMe-dPhe N-methyl-2,3-dehydrophenylalanine NRPS C10H11NO2 CNC(=Cc1ccccc1)C(O)=O ['Phe*', 'Phe+Trp']
374 bMe-Br-Phe beta-methyl-bromophenylalanine unknown C10H12BrNO2 CC(C(N)C(=O)O)c1ccc(cc1)Br ['Phe*', 'Phe+Trp']
375 Pheol phenylalaninol NRPS C9H13NO NC(CO)Cc1ccccc1 ['Phe*', 'Phe+Trp']
376 bMe-Phe beta-methyl-phenylalanine NaN C10H13NO2 CC(C(N)C(=O)O)c1ccccc1 ['Phe*', 'Phe+Trp']
377 Phe Phenylalanine NRPS C9H11NO2 NC(Cc1ccccc1)C(=O)O ['Phe*', 'Phe+Trp']
378 diOH-Phe 3,4-dihydroxyphenylalanine unknown C9H11NO4 NC(Cc1ccc(O)c(O)c1)C(=O)O ['Phe*', 'Phe+Trp']
379 NMe-Me2A-Phe N-methyl-4-dimethylamino-phenylalanine NRPS C12H18N2O2 CNC(Cc1ccc(cc1)N(C)C)C(=O)O ['Phe*', 'Phe+Trp']
380 Br-Phe bromophenylalanine unknown C9H10BrNO2 NC(Cc1ccc(cc1)Br)C(=O)O ['Phe*', 'Phe+Trp']
381 D-NMe-Phe D-N-Methyl-Phenylalanine unknown C10H13NO2 CNC(Cc1ccccc1)C(=O)O ['Phe*', 'Phe+Trp']
382 NMe-MeA-Phe N-methyl-4-methylamino-phenylalanine NRPS C11H16N2O2 CNc1ccc(cc1)CC(NC)C(=O)O ['Phe*', 'Phe+Trp']
383 D-Phe D-Phenylalanine NRPS C9H11NO2 NC(Cc1ccccc1)C(=O)O ['Phe*', 'Phe+Trp']
384 NMe-Br-Trp N-methyl-2-Bromo-tryptophan NRPS C12H13BrN2O2 CNC(Cc1c2ccccc2([nH]c1Br))C(=O)O ['Trp*', 'Phe+Trp']
385 NMe-Cl-Trp N-methyl-6-chloro-tryptophan unknown C12H13ClN2O2 CNC(Cc1c[nH]c2cc(ccc12)Cl)C(=O)O ['Trp*', 'Phe+Trp']
386 D-Cl-Trp D-6_-chloro-tryptophan unknown C11H11ClN2O2 NC(Cc1c[nH]c2cc(ccc12)Cl)C(=O)O ['Trp*', 'Phe+Trp']
387 bbNMe-NMe-Trp beta,beta,N1,N-tetramethyltryptophan unknown C15H20N2O2 CNC(C(O)=O)C(C)(C)c2cn(C)c1ccccc12 ['Trp*', 'Phe+Trp']
388 Trp Tryptophan NRPS C11H12N2O2 NC(Cc1c[nH]c2ccccc12)C(=O)O ['Trp*', 'Phe+Trp']
389 Ac-Trp N-acetyltryptophan NRPS C13H14N2O3 CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O ['Trp*', 'Phe+Trp']
390 pTrp phototryptophan unknown C11H12N2O3 O=C(O)C1CC2(O)(c3ccccc3(NC2(N1))) ['Trp*', 'Phe+Trp']
391 OMe-Trp methoxytryptophan NRPS C12H14N2O3 COn2cc(CC(N)C(=O)O)c1ccccc12 ['Trp*', 'Phe+Trp']
392 OH-Trp 5-hydroxytryptophan unknown C11H12N2O3 NC(Cc1c[nH]c2ccc(O)cc12)C(=O)O ['Trp*', 'Phe+Trp']
393 D-Trp D-Tryptophan NRPS C11H12N2O2 NC(Cc1c[nH]c2ccccc12)C(=O)O ['Trp*', 'Phe+Trp']
394 Trpol tryptophanol NRPS C11H14N2O NC(CO)Cc1c[nH]c2ccccc12 ['Trp*', 'Phe+Trp']
395 N1-COOH-bhTrp N1-carboxy-bichomotryptophan unknown C14H16N2O4 NC(CCCc1cn(C(=O)O)c2ccccc12)C(=O)O ['Trp*', 'Phe+Trp']
396 dh-Trp 2,3-Dehydro-Tryptophan NRPS C11H10N2O2 NC(=Cc1c[nH]c2ccccc12)C(=O)O ['Trp*', 'Phe+Trp']
397 1Me-Trp N1-methyl-tryptophan unknown C12H14N2O2 Cn2cc(CC(N)C(=O)O)c1ccccc12 ['Trp*', 'Phe+Trp']
398 NMe-OH-Trp N-methyl-5-hydroxytryptophan unknown C12H14N2O3 CNC(Cc1c[nH]c2ccc(O)cc12)C(=O)O ['Trp*', 'Phe+Trp']
399 D-Cl-CONH2-Trp D-6-chloro-N2-formamidotryptophan unknown C12H12ClN3O3 NC(=O)n2cc(CC(N)C(O)=O)c1ccc(cc12)Cl ['Trp*', 'Phe+Trp']
400 Br-OH-Trp 2-bromo-5-hydroxytryptophan unknown C11H11BrN2O3 NC(Cc1c2cc(O)ccc2([nH]c1Br))C(=O)O ['Trp*', 'Phe+Trp']
401 Br-Trp 5-bromo-tryptophan unknown C11H11BrN2O2 NC(Cc1c[nH]c2ccc(cc12)Br)C(=O)O ['Trp*', 'Phe+Trp']
402 bbMe-NMe-Trp beta,beta,N-trimethyltryptophan unknown C14H18N2O2 CNC(C(O)=O)C(C)(C)c2c[nH]c1ccccc12 ['Trp*', 'Phe+Trp']
403 D-COOH-Trp D-2-carboxy-tryptophan unknown C12H12N2O4 NC(Cc1c2ccccc2([nH]c1(C(=O)O)))C(O)=O ['Trp*', 'Phe+Trp']
404 NMe-Cl-OH-Trp N-methyl-6-chloro-5-hydroxytryptophan unknown C12H13ClN2O3 CNC(Cc1c[nH]c2cc(c(O)cc12)Cl)C(=O)O ['Trp*', 'Phe+Trp']
405 CFA coronafacic acid PKS C12H16O3 CCC1C=C(C(=O)O)C2CCC(=O)C2(C1) ['PKS', 'PKS']
406 Adda 3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid PKS C20H29NO3 COC(Cc1ccccc1)C(C)C=C(C)C=CC(N)C(C)C(=O)O ['PKS', 'PKS']
407 Me-Suc methyl-succinimide PKS C5H7NO2 CC1CC(=O)NC1(=O) ['PKS', 'PKS']
408 ADMAdda O-Acetyl-O-demethylAdda. PKS C21H29NO4 CC(C=CC(N)C(C)C(O)=O)=CC(C)C(Cc1ccccc1)OC(C)=O ['PKS', 'PKS']
409 C8:3(t2.t4.t6) trans2,trans4,trans6-trioctaneic acid PKS C8H10O2 CC=CC=CC=CC(=O)O ['PKS', 'PKS']
410 DMAdda O-demethyl-Adda PKS C19H27NO3 CC(C=CC(N)C(C)C(O)=O)=CC(C)C(O)Cc1ccccc1 ['PKS', 'PKS']
411 C6:2(t2.t4) trans2,trans4-dihexaneic acid PKS C6H8O2 CC=CC=CC(=O)O ['PKS', 'PKS']
412 Pyr pyrrolidone unknown C4H7NO O=C1CCCN1 ['Pyr*', 'Pyr*']
413 Pya pyruvate unknown C3H4O3 CC(=O)C(=O)O ['Pyr*', 'Pyr*']
414 OH-Pyr hydroxy pyrrolidone unknown C4H7NO2 OC1CNC(=O)C1 ['Pyr*', 'Pyr*']
415 dPyr dehydropyrrolidone unknown C6H8N2O3 NC1CC(=O)NC1(=CC(=O)O) ['Pyr*', 'Pyr*']
416 Dpy Dolapyrrolidone unknown C12H13NO2 COC2=CC(=O)NC2(Cc1ccccc1) ['Pyr*', 'Pyr*']
417 Spd spermidine unknown C7H19N3 NCCCCNCCCN ['Spd*', 'Spd*']
418 GSpd guanylspermidine unknown C8H21N5 NCCCNCCCCN=C(N)N ['Spd*', 'Spd*']
419 NSpd norspermidine other C6H17N3 NCCCNCCCN ['Spd*', 'Spd*']
420 Sta statine unknown C8H17NO3 CC(C)CC(N)C(O)CC(=O)O ['Sta*', 'Sta*']
421 Nst norstatine unknown C7H15NO3 CC(C)CC(N)C(O)C(=O)O ['Sta*', 'Sta*']
422 Ist isostatine unknown C8H17NO3 CCC(C)C(N)C(O)CC(=O)O ['Sta*', 'Sta*']
423 aThr allo-Threonine NRPS C4H9NO3 CC(O)C(N)C(=O)O ['Thr*', 'Thr*']
424 D-Thr D-Threonine NRPS C4H9NO3 CC(O)C(N)C(=O)O ['Thr*', 'Thr*']
425 4OH-Thr 4-Hydroxythreonine NRPS C4H9NO4 NC(C(=O)O)C(O)CO ['Thr*', 'Thr*']
426 NMe-Thr N-methylthreonine NRPS C5H11NO3 CNC(C(C)O)C(=O)O ['Thr*', 'Thr*']
427 D-aThr D-allo-Threonine NRPS C4H9NO3 CC(O)C(N)C(=O)O ['Thr*', 'Thr*']
428 4Cl-Thr 4-Chloro-Threonine NRPS C4H8ClNO3 NC(C(=O)O)C(O)CCl ['Thr*', 'Thr*']
429 Thr Threonine NRPS C4H9NO3 CC(O)C(N)C(=O)O ['Thr*', 'Thr*']
430 OMe-Thr O-methyl-threonine NRPS C5H11NO3 COC(C)C(N)C(=O)O ['Thr*', 'Thr*']
431 OMe-bAla-Thz 1-methoxy-beta-alanine-thiazole NRPS C7H10N2O2S COC(=O)CC(N)c1nccs1 ['Thz*', 'Thz*']
432 Pro-Thz proline-thiazole unknown C7H10N2S C1CNC(C1)c2nccs2 ['Thz*', 'Thz*']
433 Ala-Thz Alanine-thiazole unknown C6H8N2O2S CC(N)c1nc(cs1)C(=O)O ['Thz*', 'Thz*']
434 NMe-Gly-Thz N-Methyl-Glycine-thiazole unknown C5H8N2S CNCc1nccs1 ['Thz*', 'Thz*']
435 Phe-Thz thiazolylphenylalanine unknown C12H12N2O2S NC(Cc1ccccc1)c2nc(cs2)C(O)=O ['Thz*', 'Thz*']
436 Apv alpha-amino-phenyl-valeric acid NRPS C11H15NO2 NC(CCCc1ccccc1)C(=O)O ['Vaa*', 'Vaa*']
437 C5:0-NH2(3) 3-amino-pentanoic acid unknown C5H11NO2 CCC(N)CC(=O)O ['Vaa*', 'Vaa*']
438 Amv alpha-amino-methoxyphenyl-valeric acid NRPS C12H17NO3 COc1ccc(CCCC(N)C(=O)O)cc1 ['Vaa*', 'Vaa*']
439 Me-Vaa 3-methylvaleric acid unknown C6H12O2 CCC(C)CC(=O)O ['Vaa*', 'Vaa*']
440 4Me-Hva 2-hydroxy-4-methylpentanoic acid, 2-hydroxy-4-methylvaleric acid NaN C6H12O3 CC(C)CC(O)C(=O)O ['Vaa*', 'Vaa*']
441 Ahv alpha-amino-hydroxyphenyl-valeric acid NRPS C11H15NO3 NC(CCCc1ccc(O)cc1)C(=O)O ['Vaa*', 'Vaa*']
442 D-Hmp D-2-hydroxy-3-methylpentanoic acid NRPS C6H12O3 CCC(C)C(O)C(=O)O ['Vaa*', 'Vaa*']
443 OSu-Hmp O-sulfate-2-hydroxy-3-methylpentanoic acid unknown C6H12O6S CCC(C)C(OS(=O)(=O)O)C(=O)O ['Vaa*', 'Vaa*']
444 4Me-D-Hva 4-Methyl-D-2-hydroxy-valeric acid, 4-Methyl-D-2-hydroxy-pentanoic acid NRPS C6H12O3 CC(C)CC(O)C(=O)O ['Vaa*', 'Vaa*']
445 Hmp 2-hydroxy-3-methyl-pentanoic acid NRPS C6H12O3 CCC(C)C(O)C(=O)O ['Vaa*', 'Vaa*']
446 v-Arg vinylogous arginine unknown C8H16N4O2 N=C(N)NCCCC(N)C=CC(=O)O ['Arg*', 'XArg']
447 D-Arg D-Arginine NRPS C6H14N4O2 NC(N)=NCCCC(N)C(=O)O ['Arg*', 'XArg']
448 ck-Arg cyclo alpha-ketoarginine unknown C7H12N4O2 NC1CCCN2C(=N)NC(=O)C12(O) ['Arg*', 'XArg']
449 Argal arginal unknown C6H14N4O NC(N)=NCCCC(N)C=O ['Arg*', 'XArg']
450 Arg Arginine NRPS C6H14N4O2 NC(N)=NCCCC(N)C(=O)O ['Arg*', 'XArg']
451 diOH-Arg 3,4-dihydroxyArginine unknown C6H14N4O4 NC(N)=NCC(O)C(O)C(N)C(O)=O ['Arg*', 'XArg']
452 hk-Arg hydrated alpha-ketoarginine unknown C7H16N4O3 N=C(N)NCCCC(N)C(O)C(=O)O ['Arg*', 'XArg']
453 k-Arg alpha-ketoarginine unknown C7H14N4O3 N=C(N)NCCCC(N)C(=O)C(=O)O ['Arg*', 'XArg']
454 D-Har D-homoarginine unknown C7H12N4O3 N#CN(CCCCC(O)C(N)=O)N=O ['Har*', 'XArg']
455 Har homoarginine NRPS C7H16N4O2 NC(N)=NCCCCC(N)C(=O)O ['Har*', 'XArg']
456 4oxo-Hpr 4-oxo-homoproline NRPS C6H9NO3 O=C1CCNC(C1)C(=O)O ['Hpr*', 'XPro']
457 Hpr homoproline NRPS C6H11NO2 O=C(O)C1CCCCN1 ['Hpr*', 'XPro']
458 D-Hpr D-homoproline NRPS C6H11NO2 O=C(O)C1CCCCN1 ['Hpr*', 'XPro']
459 4oxo-5Me-Pro 4-oxo-5-methylproline NRPS C6H9NO3 CC1NC(CC1(=O))C(=O)O ['Pro*', 'XPro']
460 NFo-Pro N-Formyl-Proline NRPS C6H9NO3 O=CN1CCCC1(C(=O)O) ['Pro*', 'XPro']
461 4oxo-Pro 4-oxo-proline NRPS C5H7NO3 O=C1CNC(C1)C(=O)O ['Pro*', 'XPro']
462 5Me-Pro 5-methylproline NRPS C6H11NO2 CC1CCC(N1)C(=O)O ['Pro*', 'XPro']
463 D-Pro D-Proline NRPS C5H9NO2 O=C(O)C1CCCN1 ['Pro*', 'XPro']
464 Pro Proline NRPS C5H9NO2 O=C(O)C1CCCN1 ['Pro*', 'XPro']
465 Ac-Pro acetylproline NRPS C7H11NO3 CC(=O)N1CCCC1(C(=O)O) ['Pro*', 'XPro']
466 D-4OH-Pro D-hydroxyproline unknown C5H9NO3 OC1CNC(C1)C(=O)O ['Pro*', 'XPro']
467 3OH-Pro 3-Hydroxyproline NRPS C5H9NO3 O=C(O)C1NCCC1(O) ['Pro*', 'XPro']
468 ProC proline carboxamid NRPS C5H10N2O NC(=O)C1CCCN1 ['Pro*', 'XPro']
469 3OH-5Me-Pro 3-Hydroxy-5-methylproline NRPS C6H11NO3 CC1CC(O)C(N1)C(=O)O ['Pro*', 'XPro']
470 3Me-Pro 3-methylproline NRPS C6H11NO2 CC1CCNC1(C(=O)O) ['Pro*', 'XPro']
471 Cl2-Pro 3,4-dichloro-proline unknown C5H7Cl2NO2 O=C(O)C1NCC(C1Cl)Cl ['Pro*', 'XPro']
472 4OH-Pro 4-Hydroxyproline NRPS C5H9NO3 OC1CNC(C1)C(=O)O ['Pro*', 'XPro']
473 4Me-Pro 4-methylproline NRPS C6H11NO2 CC1CNC(C1)C(=O)O ['Pro*', 'XPro']
474 D-Hse D-Homoserine NRPS C4H9NO3 NC(CCO)C(=O)O ['Hse*', 'XSer']
475 Hse Homoserine NRPS C4H9NO3 NC(CCO)C(=O)O ['Hse*', 'XSer']
476 Ser Serine NRPS C3H7NO3 NC(CO)C(=O)O ['Ser*', 'XSer']
477 NMe-Ser N-Methyl-Serine NRPS C4H9NO3 CNC(CO)C(=O)O ['Ser*', 'XSer']
478 NFo-Iser N-formyl-isoserine unknown C4H7NO4 O=CNCC(O)C(=O)O ['Ser*', 'XSer']
479 D-Ser D-Serine NRPS C3H7NO3 NC(CO)C(=O)O ['Ser*', 'XSer']
480 Ph-Ser phenylserine unknown C9H11NO3 NC(C(=O)O)C(O)c1ccccc1 ['Ser*', 'XSer']
481 Iser isoserine unknown C3H7NO3 NCC(O)C(=O)O ['Ser*', 'XSer']
482 gSer alpha-guanidino Serine unknown C3H8N4O3 N=C(N)NC(N)(O)C(=O)O ['Ser*', 'XSer']
483 D-NMe-Ser N-Methyl-D-Serine NRPS C4H9NO3 CNC(CO)C(=O)O ['Ser*', 'XSer']
484 Ac-Ser O-acetyl-Serine NRPS C5H9NO4 CC(=O)OCC(N)C(=O)O ['Ser*', 'XSer']
485 Serol Serinol NRPS C3H9NO2 NC(CO)CO ['Ser*', 'XSer']
486 NMe-Hty N-methyl-homotyrosine NRPS C11H15NO3 CNC(CCc1ccc(O)cc1)C(=O)O ['Hty*', 'XTyr']
487 Hty Homotyrosine NRPS C10H13NO3 NC(CCc1ccc(O)cc1)C(=O)O ['Hty*', 'XTyr']
488 3Me-Hty 3-methyl-homotyrosine NRPS C11H15NO3 CC(Cc1ccc(O)cc1)C(N)C(=O)O ['Hty*', 'XTyr']
489 Cl-Tyr chloro-tyrosine NRPS C9H10ClNO3 NC(Cc1ccc(O)c(c1)Cl)C(=O)O ['Tyr*', 'XTyr']
490 D-Cl-NMe-Tyr D-3-chloro-N-methyl-Tyrosine unknown C10H12ClNO3 CNC(Cc1ccc(O)c(c1)Cl)C(=O)O ['Tyr*', 'XTyr']
491 D-I-NMe-Tyr D-3-iodo-N-methyl-Tyrosine unknown C10H12INO3 CNC(Cc1ccc(O)c(c1)I)C(=O)O ['Tyr*', 'XTyr']
492 bTyr beta-tyrosine NRPS C9H11NO3 NC(CC(=O)O)c1ccc(O)cc1 ['Tyr*', 'XTyr']
493 Br-Tyr bromotyrosine unknown C9H10BrNO3 NC(Cc1ccc(O)c(c1)Br)C(=O)O ['Tyr*', 'XTyr']
494 D-NMe-OMe-Tyr D-N,O-dimethyl-tyrosine unknown C11H15NO3 CNC(Cc1ccc(cc1)OC)C(=O)O ['Tyr*', 'XTyr']
495 bOMe-Tyr beta-methoxy-tyrosine unknown C10H13NO4 COC(C(N)C(=O)O)c1ccc(O)cc1 ['Tyr*', 'XTyr']
496 D-Tyr D-Tyrosine NRPS C9H11NO3 NC(Cc1ccc(O)cc1)C(=O)O ['Tyr*', 'XTyr']
497 dv-Tyr dehydro vinylogous tyrosine unknown C11H11NO3 NC(C=CC(=O)O)=Cc1ccc(O)cc1 ['Tyr*', 'XTyr']
498 bOH-Tyr beta-hydroxy-tyrosine NRPS C9H11NO4 NC(C(=O)O)C(O)c1ccc(O)cc1 ['Tyr*', 'XTyr']
499 e-Tyr ethylene inserted tyrosine unknown C11H15NO3 NC(CCC(=O)O)Cc1ccc(O)cc1 ['Tyr*', 'XTyr']
500 bOH-Cl-Tyr beta-hydroxy-chloro-tyrosine NRPS C9H10ClNO4 NC(C(=O)O)C(O)c1ccc(O)c(c1)Cl ['Tyr*', 'XTyr']
501 Tyr Tyrosine NRPS C9H11NO3 NC(Cc1ccc(O)cc1)C(=O)O ['Tyr*', 'XTyr']
502 v-OH-Tyr vinylogous hydroxy tyrosine unknown C11H13NO4 NC(C=CC(=O)O)Cc1ccc(O)c(O)c1 ['Tyr*', 'XTyr']
503 v-Tyr vinylogous tyrosine unknown C11H13NO3 NC(C=CC(=O)O)Cc1ccc(O)cc1 ['Tyr*', 'XTyr']
504 NMe-OMe-Tyr N,O-dimethyl-tyrosine NRPS C11H15NO3 CNC(Cc1ccc(cc1)OC)C(=O)O ['Tyr*', 'XTyr']
505 NMe-OMe-TyrC N,O-dimethyl-tyrosinecarboxamid unknown C11H16N2O2 CNC(Cc1ccc(cc1)OC)C(N)=O ['Tyr*', 'XTyr']
506 NMe-Tyr N-methyltyrosine NRPS C10H13NO3 CNC(Cc1ccc(O)cc1)C(=O)O ['Tyr*', 'XTyr']
507 3NO2-Tyr 3-nitrotyrosine NRPS C9H10N2O5 NC(Cc1ccc(O)c(c1)[N+](=O)[O-])C(=O)O ['Tyr*', 'XTyr']
508 D-Br-NMe-Tyr D-3-bromo-N-methyl-Tyrosine unknown C10H12BrNO3 CNC(Cc1ccc(O)c(c1)Br)C(=O)O ['Tyr*', 'XTyr']
509 Cl-NMe-Tyr Chloro-N-methyl-tyrosine NRPS C10H12ClNO3 CNC(Cc1ccc(O)c(c1)Cl)C(=O)O ['Tyr*', 'XTyr']
510 Aca Anticapsin NRPS C9H13NO4 NC(CC1CCC(=O)C2OC12)C(=O)O []
511 Agdha 4-amino-7-guanidino-2,3-dihydroxyheptanoic acid other C8H18N4O4 N=C(N)NCCCC(N)C(O)C(O)C(O)=O []
512 Ahp 3-amino-6-hydroxy-2-piperidone NRPS C9H16N2O5 CC(O)C(C(=O)O)N1C(O)CCC(N)C1(=O) []
513 Azd aziridine dicarboxylic acid unknown C4H5NO4 O=C(O)C1NC1(C(=O)O) []
514 Choi 2-carboxy-6-hydroxyoctahydroindole unknown C9H15NO3 OC1CCC2CC(NC2(C1))C(=O)O []
515 CO oxo group unknown CO C=O []
516 COOH-Qui 2-carboxyquinoxaline NRPS C9H6N2O2 O=C(O)c1cnc2ccccc2(n1) []
517 Daz 2,6-diamino-7-hydroxyazelaic acid unknown C9H18N2O5 NC(CCCC(N)C(O)CC(=O)O)C(=O)O []
518 DHMDA 8,10-Dimethyl-9-hydroxy-7-methoxytridecadienoic acid unknown C16H28O4 CCCC(C)C(O)C(C)C(C=CC=CCC(=O)O)OC []
519 DHPT dihydroxyphenylthiazol group NRPS C10H9NO4S OC(=O)C1CSC(=N1)c2cccc(O)c2(O) []
520 DMOG DHP-methyloxazolinyl group other C11H11NO5 CC1OC(=NC1(C(O)=O))c2cccc(O)c2(O) []
521 Doe Dolaphenine unknown C11H12N2S NC(Cc1ccccc1)c2nccs2 []
522 Dov Dolavaline NRPS C7H15NO2 CC(C)C(C(=O)O)N(C)C []
523 Hpa hydroxypicolinic acid NRPS C6H5NO3 O=C(O)c1ncccc1(O) []
524 Hpoe 2-hydroxyphenyl-2-oxo-ethanoic acid NRPS C8H6O4 Oc1ccc(cc1)C(=O)C(=O)O []
525 HseL homoserine lactone NRPS C4H7NO2 NC1CCOC1(=O) []
526 Ibu 4-amino-2,2-dimethyl-3-oxopentanoic acid unknown C7H13NO3 CC(N)C(=O)C(C)(C)C(O)=O []
527 Mab 2-methyl-3-aminobutanoic acid unknown C5H11NO2 CC(N)C(C)C(=O)O []
528 Map 2-methyl-3-aminopentanoic acid unknown C6H13NO2 CCC(N)C(C)C(=O)O []
529 MCP N-methylchloropyrrole unknown C6H6ClNO2 Cn1cc(cc1(C(=O)O))Cl []
530 MdCP N-methyldichloropyrrole-2-carboxylic acid unknown C6H5Cl2NO2 Cn1c(cc(c1Cl)Cl)C(=O)O []
531 Me-AOA methyl-2-aminooctanoic acid NRPS C9H19NO2 CCCCCCCC(N)C(=O)O []
532 NMe-Dha N-Methyl-dehydroalanine NRPS C4H7NO2 CNC(=C)C(=O)O []
533 NMe-Lan N-Methyl-Lanthionine NRPS C6H12N2O5S NC(CSCC(NO)C(O)=O)C(=O)O []
534 N-OH-Hta N-Hydroxy-histamine NRPS C6H14N2O2 ONCCC1CNCN1 []
535 N-Suc Succinamid acid NaN C4H7NO3 NC(=O)CCC(=O)O []
536 PALOA propenoyl-alanyloxazole acid unknown C8H10N2O3 CC(N)c1nc(C=CC(=O)O)co1 []
537 PAOA propenoyl-2-aminobutanoyloxazole acid unknown C9H12N2O3 CCC(N)c1nc(C=CC(=O)O)co1 []
538 Pda pentanedioic acid unknown C5H8O4 O=C(O)CCCC(=O)O []
539 Pha phenylacetic acid unknown C8H8O2 O=C(O)Cc1ccccc1 []
540 PMST propenoyl-O-methylserinylthiazole acid unknown C9H12N2O3S COCC(N)c1nc(C=CC(=O)O)cs1 []
541 PT phosphinothricin NRPS C5H12NO4P CP(=O)(O)CCC(N)C(=O)O []
542 PTTA 4-propenoyl-2-tyrosylthiazole acid unknown C14H14N2O3S NC(Cc1ccc(O)cc1)c2nc(C=CC(O)=O)cs2 []
543 Put putrescine other C4H12N2 NCCCCN []
544 Suc succinic acid NaN C4H6O4 O=C(O)CCC(=O)O []
545 Pen Penicillamine unknown C5H11NO2S CC(C)(C(C(=O)O)N)S []

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