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CHEBI:16625 - methylmalonyl-CoA

ChEBI IDCHEBI:16625
ChEBI Namemethylmalonyl-CoA
Stars
DefinitionA member of the class of malonyl-CoAs that is malonyl-CoA carrying a methyl group on the malony side chain.
Secondary ChEBI IDsCHEBI:6882, CHEBI:14604, CHEBI:19683
Last Modified2 February 2015
DownloadsMolfile
FormulaC25H40N7O19P3S
Net Charge0
Average Mass867.614
Monoisotopic Mass867.13125
SMILESCC(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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O
InChIInChI=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
InChIKeyMZFOKIKEPGUZEN-FBMOWMAESA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (17966092)
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
(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  Source
Methylmalonyl-CoAKEGG COMPOUND
Methylmalonyl coemzyme AKEGG COMPOUND
2-Methylmalonyl-CoAKEGG COMPOUND
2-methyl-3-oxopropanoyl-CoAsChEBI
2-methylmalonyl-CoAChEBI
methylmalonyl coenzyme AChEBI
Manual XrefsDatabases
C02557KEGG COMPOUND
MCAPDBeChem
Methylmalonyl-CoAMetaCyc
HMDB0001269HMDB
Methylmalonyl-CoAWikipedia
Registry NumbersSources
Reaxys:78364Reaxys
CAS:1264-45-5KEGG COMPOUND
CAS:1264-45-5ChemIDplus
Citations