coenzyme B (CHEBI:28890)

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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

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.

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

Registry Number	Type	Source
104302-77-4	CAS Registry Number	ChemIDplus

Last Modified

31 January 2019