CHEBI:28890 - coenzyme B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name coenzyme B
ChEBI ID CHEBI:28890
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:12534, CHEBI:12434, CHEBI:29046, CHEBI:46031, CHEBI:7093, CHEBI:14009, CHEBI:23350, CHEBI:21474
Supplier Information
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Formula C11H22NO7PS
Net Charge 0
Average Mass 343.33468
Monoisotopic Mass 343.08546
InChI InChI=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
InChIKey JBJSVEVEEGOEBZ-SCZZXKLOSA-N
SMILES C[C@@H](OP(O)(O)=O)[C@H](NC(=O)CCCCCCS)C(O)=O
Roles Classification
Biological Role(s): coenzyme
A low-molecular-weight, non-protein organic compound participating in enzymatic reactions as dissociable acceptor or donor of chemical groups or electrons.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 coenzyme B(3−) (CHEBI:58596) is conjugate base of coenzyme B (CHEBI:28890)
IUPAC Name
N-(7-sulfanylheptanoyl)-L-threonine 3-(dihydrogen phosphate)
Synonyms Sources
(2S,3R)-2-[(7-mercaptoheptanoyl)amino]-3-(phosphonooxy)butanoic acid ChEBI
(2S,3R)-3-phosphonooxy-2-[(7-sulfanylheptanoyl)amino]butanoic acid IUPAC
7-mercaptoheptanoyl-O-phospho-L-threonine ChemIDplus
7-mercaptoheptanoylthreonine phosphate ChemIDplus
7-thioheptanoyl-threonine O-phosphate ChemIDplus
Coenzyme B KEGG COMPOUND
HTP KEGG COMPOUND
MHTP ChemIDplus
N-(7-mercaptoheptanoyl)-L-threonine 3-O-phosphate IUBMB
N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate KEGG COMPOUND
N-(7-Mercaptoheptanoyl)threonine O3-phosphate KEGG COMPOUND
N-(7-sulfanylheptanoyl)-3-O-phosphono-L-threonine IUBMB
N-(7-sulfanylheptanoyl)-3-phospho-L-threonine IUBMB
Manual Xrefs Databases
C00000760 KNApSAcK
C04628 KEGG COMPOUND
TP7 PDBeChem
View more database links
Registry Number Type Source
104302-77-4 CAS Registry Number ChemIDplus
Last Modified
31 January 2019