Bioactive Compound Details
| BioID | bio197322 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL554083 |
| Molecular Formula | C48H95NO8 |
| Molecular Weight | 814.29 |
| Molecular Weight (Monoisotopic) | 813.7058 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2',4-Dideoxy-Alphagalactosylceramide |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCC |
| Inchi | InChI=1S/C48H95NO8/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-44(52)49-41(40-56-48-47(55)46(54)45(53)43(39-50)57-48)42(51)37-35-33-31-29-27-14-12-10-8-6-4-2/h41-43,45-48,50-51,53-55H,3-40H2,1-2H3,(H,49,52)/t41-,42+,43+,45-,46-,47+,48-/m0/s1 |
| Inchi Key | BKSXKRUSYDJGAP-NFTOJKDNSA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 20.0 |
| Np Likeness Score | 0.77 |
| Records Key | ['2, 4-deoxy-KRN7000'] |
| Records Name | [2',4-dideoxy-alphagalactosylceramide"]" |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
