CHEBI:15881 - 2-oxopropyl-CoM

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-oxopropyl-CoM
ChEBI ID CHEBI:15881
Definition The S-(2-oxopropyl) derivative of coenzyme M.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1259, CHEBI:11463, CHEBI:11644, CHEBI:19759
Supplier Information
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Formula C5H10O4S2
Net Charge 0
Average Mass 198.26250
Monoisotopic Mass 198.00205
InChI InChI=1S/C5H10O4S2/c1-5(6)4-10-2-3-11(7,8)9/h2-4H2,1H3,(H,7,8,9)
InChIKey CRNXHFXAXBWIRH-UHFFFAOYSA-N
SMILES CC(=O)CSCCS(O)(=O)=O
ChEBI Ontology
Outgoing 2-oxopropyl-CoM (CHEBI:15881) is a S-substituted coenzyme M (CHEBI:23356)
2-oxopropyl-CoM (CHEBI:15881) is conjugate acid of 2-oxopropyl-CoM(1−) (CHEBI:57552)
Incoming 2-oxopropyl-CoM(1−) (CHEBI:57552) is conjugate base of 2-oxopropyl-CoM (CHEBI:15881)
IUPAC Name
2-[(2-oxopropyl)sulfanyl]ethanesulfonic acid
Synonyms Sources
2-(2-Oxopropylthio)ethanesulfonate KEGG COMPOUND
2-ketopropyl-CoM UM-BBD
2-Oxopropyl-CoM KEGG COMPOUND
Manual Xrefs Databases
c0781 UM-BBD
C11497 KEGG COMPOUND
KPC PDBeChem
View more database links
Last Modified
28 July 2014