CHEBI:15531 - malonyl-CoA

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ChEBI Name malonyl-CoA
ChEBI ID CHEBI:15531
Definition The S-malonyl derivative of coenzyme A.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:43979, CHEBI:6661, CHEBI:14565, CHEBI:25135
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Formula C24H38N7O19P3S
Net Charge 0
Average Mass 853.58158
Monoisotopic Mass 853.116
InChI InChI=1S/C24H38N7O19P3S/c1-24(2,19(37)22(38)27-4-3-13(32)26-5-6-54-15(35)7-14(33)34)9-47-53(44,45)50-52(42,43)46-8-12-18(49-51(39,40)41)17(36)23(48-12)31-11-30-16-20(25)28-10-29-21(16)31/h10-12,17-19,23,36-37H,3-9H2,1-2H3,(H,26,32)(H,27,38)(H,33,34)(H,42,43)(H,44,45)(H2,25,28,29)(H2,39,40,41)/t12-,17-,18-,19+,23-/m1/s1
InChIKey LTYOQGRJFJAKNA-DVVLENMVSA-N
SMILES CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(O)=O
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): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via acyl-CoA )
EC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitor
An EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor that interferes with the action of mitochondrial carnitine O-palmitoyltransferase (EC 2.3.1.21).
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing malonyl-CoA (CHEBI:15531) has functional parent coenzyme A (CHEBI:15346)
malonyl-CoA (CHEBI:15531) has role Escherichia coli metabolite (CHEBI:76971)
malonyl-CoA (CHEBI:15531) has role EC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitor (CHEBI:63158)
malonyl-CoA (CHEBI:15531) has role metabolite (CHEBI:25212)
malonyl-CoA (CHEBI:15531) has role mouse metabolite (CHEBI:75771)
malonyl-CoA (CHEBI:15531) is a malonyl-CoAs (CHEBI:25136)
malonyl-CoA (CHEBI:15531) is conjugate acid of malonyl-CoA(5−) (CHEBI:57384)
Incoming malonyl-CoA(5−) (CHEBI:57384) is conjugate base of malonyl-CoA (CHEBI:15531)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3-carboxyacetyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
Coenzyme A, S-(hydrogen propanedioate) ChemIDplus
Malonyl coenzyme A KEGG COMPOUND
Malonyl-CoA KEGG COMPOUND
S-(Hydrogen malonyl)coenzyme A ChemIDplus
Database Links Databases
C00007260 KNApSAcK
C00083 KEGG COMPOUND
DB04524 DrugBank
LMFA07050031 LIPID MAPS
Malonyl-CoA Wikipedia
MALONYL-COA MetaCyc
MLC PDBeChem
View more database links
Registry Numbers Types Sources
524-14-1 CAS Registry Number KEGG COMPOUND
524-14-1 CAS Registry Number ChemIDplus
78309 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11117381 PubMed citation Europe PMC
11934665 PubMed citation Europe PMC
16651524 PubMed citation Europe PMC
17126822 PubMed citation Europe PMC
17522981 PubMed citation Europe PMC
18294446 PubMed citation Europe PMC
21199367 PubMed citation Europe PMC
21508288 PubMed citation Europe PMC
21763447 PubMed citation Europe PMC
Last Modified
27 January 2016