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CHEBI:15351 - acetyl-CoA

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name acetyl-CoA
ChEBI ID CHEBI:15351
Definition An acyl-CoA having acetyl as its S-acetyl component.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:40470, CHEBI:2408, CHEBI:13712, CHEBI:22192
Supplier Information
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Formula C23H38N7O17P3S
Net Charge 0
Average Mass 809.57208
Monoisotopic Mass 809.126
InChI InChI=1S/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/t13-,16-,17-,18+,22-/m1/s1
InChIKey ZSLZBFCDCINBPY-ZSJPKINUSA-N
SMILES CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Metabolite of Species Details
Mus musculus (NCBI:10090) Source: BioModels - MODEL1507180067 See: PubMed
Escherichia coli (NCBI:562) See: PubMed
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
Biological Role(s): fundamental metabolite
Any metabolite produced by all living cells.
effector
A small molecule which increases (activator) or decreases (inhibitor) the activity of an (allosteric) enzyme by binding to the enzyme at the regulatory site (which is different from the substrate-binding catalytic site).
coenzyme
A low-molecular-weight, non-protein organic compound participating in enzymatic reactions as dissociable acceptor or donor of chemical groups or electrons.
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via acyl-CoA )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing acetyl-CoA (CHEBI:15351) has functional parent acetic acid (CHEBI:15366)
acetyl-CoA (CHEBI:15351) has functional parent coenzyme A (CHEBI:15346)
acetyl-CoA (CHEBI:15351) has role acyl donor (CHEBI:62049)
acetyl-CoA (CHEBI:15351) has role coenzyme (CHEBI:23354)
acetyl-CoA (CHEBI:15351) has role effector (CHEBI:35224)
acetyl-CoA (CHEBI:15351) has role fundamental metabolite (CHEBI:78675)
acetyl-CoA (CHEBI:15351) is a acyl-CoA (CHEBI:17984)
acetyl-CoA (CHEBI:15351) is conjugate acid of acetyl-CoA(4−) (CHEBI:57288)
Incoming acetyl-2'-(5''-phosphoribosyl)-3'-dephospho-CoA (CHEBI:65343) has functional parent acetyl-CoA (CHEBI:15351)
phenylacetyl-CoA (CHEBI:15537) has functional parent acetyl-CoA (CHEBI:15351)
acetyl-CoA(4−) (CHEBI:57288) is conjugate base of acetyl-CoA (CHEBI:15351)
IUPAC Name
3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(acetylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate)
Synonyms Sources
AcCoA ChEBI
Acetyl coenzyme A KEGG COMPOUND
Acetyl-CoA KEGG COMPOUND
S-acetyl-CoA ChEBI
S-acetyl-coenzyme A ChEBI
Database Links Databases
Acetyl-CoA Wikipedia
ACO PDBeChem
C00007259 KNApSAcK
C00024 KEGG COMPOUND
c0031 UM-BBD
ECMDB01206 ECMDB
HMDB01206 HMDB
YMDB00312 YMDB
View more database links
Registry Numbers Types Sources
72-89-9 CAS Registry Number KEGG COMPOUND
72-89-9 CAS Registry Number ChemIDplus
78145 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
12527305 PubMed citation Europe PMC
12739170 PubMed citation Europe PMC
15247244 PubMed citation Europe PMC
16101314 PubMed citation Europe PMC
16667687 PubMed citation Europe PMC
16708165 PubMed citation Europe PMC
17189273 PubMed citation Europe PMC
17242360 PubMed citation Europe PMC
17631502 PubMed citation Europe PMC
18613815 PubMed citation Europe PMC
19356710 PubMed citation Europe PMC
19596230 PubMed citation Europe PMC
19914586 PubMed citation Europe PMC
3950616 PubMed citation Europe PMC
Last Modified
27 January 2016
General Comment
2011-05-20 Plays key role in metabolism, as in the transfer of both carbon atoms from the acetyl group to the the citric acid cycle for use in oxidative energy production. Important component in the biogenic synthesis of the neurotransmitter acetylcholine.