TP7
Summary
| Name: | Coenzyme B |
| Synonyms: | 7-MERCAPTOHEPTANOYLTHREONINEPHOSPHATE |
| Formula: | C11 H22 N O7 P S |
| Formal charge: | 0 |
| Formula weight: | 343.334 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | (2S,3R)-3-phosphonooxy-2-(7-sulfanylheptanoylamino)butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H22NO7PS/c1-8(19-20(16,17)18)10(11(14)15)12-9(13)6-4-2-3-5-7-21/h8,10,21H,2-7H2,1H3,(H,12,13)(H,14,15)(H2,16,17,18)/t8-,10+/m1/s1 |
| InChIKey | InChI | 1.03 | JBJSVEVEEGOEBZ-SCZZXKLOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](O[P](O)(O)=O)[C@H](NC(=O)CCCCCCS)C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH](O[P](O)(O)=O)[CH](NC(=O)CCCCCCS)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C(C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O |
