2WP
Summary
| Name: | S-ribosylhomocysteine |
| Synonyms: | (2S)-2-amino-4-({[(2S,3S,4R,5S)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid |
| Formula: | C9 H17 N O6 S |
| Formal charge: | 0 |
| Formula weight: | 267.299 Da |
| Component type: | D-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-amino-4-({[(2S,3S,4R,5S)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid (non-preferred name) |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-azanyl-4-[[(2S,3S,4R,5S)-3,4,5-tris(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)CCSCC1OC(O)C(O)C1O |
| InChI | InChI | 1.03 | InChI=1S/C9H17NO6S/c10-4(8(13)14)1-2-17-3-5-6(11)7(12)9(15)16-5/h4-7,9,11-12,15H,1-3,10H2,(H,13,14)/t4-,5+,6+,7+,9-/m0/s1 |
| InChIKey | InChI | 1.03 | IQFWYNFDWRYSRA-LYNCRYNASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCSC[C@H]1O[C@H](O)[C@H](O)[C@@H]1O)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CCSC[CH]1O[CH](O)[CH](O)[CH]1O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C(CSC[C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(CSCC1C(C(C(O1)O)O)O)C(C(=O)O)N |
