EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:18209 - CoM-S-S-CoB
| Formula | C13H26NO10PS3 |
| Net Charge | 0 |
| Average Mass | 483.523 |
| Monoisotopic Mass | 483.04565 |
| SMILES | C[C@@H](OP(=O)(O)O)[C@H](NC(=O)CCCCCCSSCCS(=O)(=O)O)C(=O)O |
| InChI | InChI=1S/C13H26NO10PS3/c1-10(24-25(18,19)20)12(13(16)17)14-11(15)6-4-2-3-5-7-26-27-8-9-28(21,22)23/h10,12H,2-9H2,1H3,(H,14,15)(H,16,17)(H2,18,19,20)(H,21,22,23)/t10-,12+/m1/s1 |
| InChIKey | OBGQLHXSMIBYLN-PWSUYJOCSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| CoM-S-S-CoB (CHEBI:18209) has functional parent O-phospho-L-threonine (CHEBI:37525) |
| CoM-S-S-CoB (CHEBI:18209) is a S-substituted coenzyme M (CHEBI:23356) |
| CoM-S-S-CoB (CHEBI:18209) is a organic disulfide (CHEBI:35489) |
| CoM-S-S-CoB (CHEBI:18209) is conjugate acid of CoM-S-S-CoB(4−) (CHEBI:58411) |
| Incoming Relation(s) |
| CoM-S-S-CoB(4−) (CHEBI:58411) is conjugate base of CoM-S-S-CoB (CHEBI:18209) |
| IUPAC Name |
|---|
| O-phosphono-N-{7-[(2-sulfoethyl)disulfanyl]heptanoyl}-L-threonine |
| Synonyms | Source |
|---|---|
| Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide | KEGG COMPOUND |
| Coenzyme M-HTP heterodisulfide | KEGG COMPOUND |
| CoM-S-S-CoB | KEGG COMPOUND |
| O-PHOSPHONO-N-{(2E)-7-[(2-SULFOETHYL)DITHIO]HEPT-2-ENOYL}-L-THREONINE | PDBeChem |
| N-{7-[(2-Sulfoethyl)dithio]heptanoyl}-3-O-phospho-L-threonine | KEGG COMPOUND |