CHEBI:18209 - CoM-S-S-CoB

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name CoM-S-S-CoB
ChEBI ID CHEBI:18209
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:3809, CHEBI:23353, CHEBI:45485, CHEBI:12619, CHEBI:14012, CHEBI:13299
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C13H26NO10PS3
Net Charge 0
Average Mass 483.51804
Monoisotopic Mass 483.04565
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
SMILES C[C@@H](OP(O)(O)=O)[C@H](NC(=O)CCCCCCSSCCS(O)(=O)=O)C(O)=O
ChEBI Ontology
Outgoing 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 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 Sources
Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide KEGG COMPOUND
Coenzyme M-HTP heterodisulfide KEGG COMPOUND
CoM-S-S-CoB KEGG COMPOUND
N-{7-[(2-Sulfoethyl)dithio]heptanoyl}-3-O-phospho-L-threonine KEGG COMPOUND
O-PHOSPHONO-N-{(2E)-7-[(2-SULFOETHYL)DITHIO]HEPT-2-ENOYL}-L-THREONINE PDBeChem
Manual Xrefs Databases
C04832 KEGG COMPOUND
MOL000133 COMe
SHT PDBeChem
View more database links
Last Modified
31 March 2014