CHEBI:16625 - methylmalonyl-CoA

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ChEBI Name methylmalonyl-CoA
ChEBI ID CHEBI:16625
Definition A member of the class of malonyl-CoAs that is malonyl-CoA carrying a methyl group on the malony side chain.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:14604, CHEBI:6882, CHEBI:19683
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Formula C25H40N7O19P3S
Net Charge 0
Average Mass 867.60700
Monoisotopic Mass 867.131
InChI InChI=1S/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-13,16-18,22,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t12?,13-,16-,17-,18+,22-/m1/s1
InChIKey MZFOKIKEPGUZEN-FBMOWMAESA-N
SMILES CC(C(O)=O)C(=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
Homo sapiens (NCBI:txid9606) 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): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing methylmalonyl-CoA (CHEBI:16625) has functional parent methylmalonic acid (CHEBI:30860)
methylmalonyl-CoA (CHEBI:16625) has role human metabolite (CHEBI:77746)
methylmalonyl-CoA (CHEBI:16625) is a malonyl-CoAs (CHEBI:25136)
methylmalonyl-CoA (CHEBI:16625) is conjugate acid of methylmalonyl-CoA(5−) (CHEBI:59916)
Incoming (R)-methylmalonyl-CoA (CHEBI:15465) is a methylmalonyl-CoA (CHEBI:16625)
(S)-methylmalonyl-CoA (CHEBI:15466) is a methylmalonyl-CoA (CHEBI:16625)
methylmalonyl-CoA(5−) (CHEBI:59916) is conjugate base of methylmalonyl-CoA (CHEBI:16625)
IUPAC Name
3'-phosphoadenosine 5'-[3-(3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methyl-3-oxopropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl) dihydrogen diphosphate]
Synonyms Sources
2-methyl-3-oxopropanoyl-CoAs ChEBI
2-methylmalonyl-CoA ChEBI
2-Methylmalonyl-CoA KEGG COMPOUND
Methylmalonyl coemzyme A KEGG COMPOUND
methylmalonyl coenzyme A ChEBI
Methylmalonyl coenzyme A KEGG COMPOUND
Methylmalonyl-CoA KEGG COMPOUND
Manual Xrefs Databases
C02557 KEGG COMPOUND
HMDB0001269 HMDB
MCA PDBeChem
Methylmalonyl-CoA MetaCyc
Methylmalonyl-CoA Wikipedia
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Registry Numbers Types Sources
1264-45-5 CAS Registry Number KEGG COMPOUND
1264-45-5 CAS Registry Number ChemIDplus
78364 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
24329397 PubMed citation Europe PMC
24568291 PubMed citation Europe PMC
Last Modified
02 February 2015