IBD Research Resource Center

BioID	bio199313
Name	None
ChEMBL ID	CHEMBL47009
Molecular Formula	C6H11O7P
Molecular Weight	226.12
Molecular Weight (Monoisotopic)	226.0242
Type	Small molecule
Max Phase	--
Target ID	Tar81
Target Name	None
Synonyms	2-(Phosphonomethyl)Pentanedioic Acid\|2-Phosphonomethyl-Pentanedioic Acid
Smiles	O=C(O)CCC(CP(=O)(O)O)C(=O)O
Inchi	InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)
Inchi Key	ISEYJGQFXSTPMQ-UHFFFAOYSA-N
Molecular Species	ACID
Targets	12.0
Bioactivities	49.0
Np Likeness Score	0.86
Records Key	['2-PMPA', '1 ; 1a', '1a', '1', 'PMPA', '1', '1, 2-PMPA', '11, PMPA', '1 (R/S)', '1; 2-PMPA', '7, 2-PMPA', '2-PMPA', '2-PMPA', '3', 'PMPA', 'PMPA', '2-PMPA', '2-PMPA', '2-PMPA']
Records Name	['2-(phosphonomethyl pentanedioic acid)', '2-Phosphonomethyl-pentanedioic acid', '2-Phosphonomethyl-pentanedioic acid', '2-Phosphonomethyl-pentanedioic acid', '2-Phosphonomethyl-pentanedioic acid', '2-Phosphonomethyl-pentanedioic acid', '2-(phosphonomethyl)pentanedioic acid', '2-(phosphonomethyl)pentanedioic acid', '2-Phosphonomethyl-pentanedioic acid', '2-Phosphonomethylpentanedioic acid', '2-(phosphonomethyl)pentanedioic acid', '2-(phosphonomethyl)pentanedioic acid', '2-(phosphonomethyl)pentanedioic acid', '2-Phosphonomethyl-pentanedioic acid', '2-(phosphonomethyl)pentanedioic acid', 'PMPA', '2-(phosphonomethyl)pentanedioic acid', '2-(Phosphonomethyl)pentanedioic acid', '2-(phosphonomethyl)pentanedioic acid']
Withdrawn Flag	False
Orphan	-1