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CHEBI:58596 - coenzyme B(3−)

ChEBI IDCHEBI:58596
ChEBI Namecoenzyme B(3−)
Stars
ASCII Namecoenzyme B(3-)
DefinitionTrianion of coenzyme B.
Last Modified26 March 2015
DownloadsMolfile
FormulaC11H19NO7PS
Net Charge-3
Average Mass340.314
Monoisotopic Mass340.06363
SMILESC[C@@H](OP(=O)([O-])[O-])[C@H](NC(=O)CCCCCCS)C(=O)[O-]
InChIInChI=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)/p-3/t8-,10+/m1/s1
InChIKeyJBJSVEVEEGOEBZ-SCZZXKLOSA-K
ChEBI Ontology
Outgoing Relation(s)
coenzyme B(3−) (CHEBI:58596) is a monocarboxylic acid anion (CHEBI:35757)
coenzyme B(3−) (CHEBI:58596) is a organophosphate oxoanion (CHEBI:58945)
coenzyme B(3−) (CHEBI:58596) is conjugate base of coenzyme B (CHEBI:28890)
Incoming Relation(s)
coenzyme B (CHEBI:28890) is conjugate acid of coenzyme B(3−) (CHEBI:58596)
IUPAC Name 
(2S,3R)-3-(phosphonatooxy)-2-[(7-sulfanylheptanoyl)amino]butanoate
UniProt Name  Source
coenzyme BUniProt