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CHEBI:28890 - coenzyme B

ChEBI IDCHEBI:28890
ChEBI Namecoenzyme B
Stars
Secondary ChEBI IDsCHEBI:7093, CHEBI:12434, CHEBI:12534, CHEBI:14009, CHEBI:21474, CHEBI:23350, CHEBI:29046, CHEBI:46031
Last Modified31 January 2019
DownloadsMolfile
FormulaC11H22NO7PS
Net Charge0
Average Mass343.338
Monoisotopic Mass343.08546
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)/t8-,10+/m1/s1
InChIKeyJBJSVEVEEGOEBZ-SCZZXKLOSA-N
Roles Classification
Biological Role:
coenzyme  A low-molecular-weight, non-protein organic compound participating in enzymatic reactions as dissociable acceptor or donor of chemical groups or electrons.
ChEBI Ontology
Outgoing Relation(s)
coenzyme B (CHEBI:28890) has role coenzyme (CHEBI:23354)
coenzyme B (CHEBI:28890) is a L-threonine derivative (CHEBI:84189)
coenzyme B (CHEBI:28890) is conjugate acid of coenzyme B(3−) (CHEBI:58596)
Incoming Relation(s)
coenzyme B(3−) (CHEBI:58596) is conjugate base of coenzyme B (CHEBI:28890)
IUPAC Name 
N-(7-sulfanylheptanoyl)-L-threonine 3-(dihydrogen phosphate)
Synonyms  Source
N-(7-Mercaptoheptanoyl)threonine 3-O-phosphateKEGG COMPOUND
N-(7-Mercaptoheptanoyl)threonine O3-phosphateKEGG COMPOUND
Coenzyme BKEGG COMPOUND
HTPKEGG COMPOUND
N-(7-sulfanylheptanoyl)-3-O-phosphono-L-threonineIUBMB
N-(7-sulfanylheptanoyl)-3-phospho-L-threonineIUBMB
Manual XrefsDatabases
C04628KEGG COMPOUND
TP7PDBeChem
C00000760KNApSAcK
Registry NumbersSources
CAS:104302-77-4ChemIDplus