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CHEBI:15466 - (S)-methylmalonyl-CoA

ChEBI IDCHEBI:15466
ChEBI Name(S)-methylmalonyl-CoA
Stars
ASCII Name(S)-methylmalonyl-CoA
DefinitionThe (S)-enantiomer of methylmalonyl-CoA.
Secondary ChEBI IDsCHEBI:384, CHEBI:11038, CHEBI:11068, CHEBI:18742, CHEBI:43874
Last Modified27 January 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC25H40N7O19P3S
Net Charge0
Average Mass867.614
Monoisotopic Mass867.13125
SMILESC[C@@H](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+/m0/s1
InChIKeyMZFOKIKEPGUZEN-IBNUZSNCSA-N
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Chemical Roles:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
acyl donor  Any donor that can transfer acyl groups between molecular entities.
Biological Roles:
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).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
(S)-methylmalonyl-CoA (CHEBI:15466) has functional parent coenzyme A (CHEBI:15346)
(S)-methylmalonyl-CoA (CHEBI:15466) has role Escherichia coli metabolite (CHEBI:76971)
(S)-methylmalonyl-CoA (CHEBI:15466) has role mouse metabolite (CHEBI:75771)
(S)-methylmalonyl-CoA (CHEBI:15466) is a methylmalonyl-CoA (CHEBI:16625)
(S)-methylmalonyl-CoA (CHEBI:15466) is conjugate acid of (S)-methylmalonyl-CoA(5−) (CHEBI:57327)
Incoming Relation(s)
(S)-methylmalonyl-CoA(5−) (CHEBI:57327) is conjugate base of (S)-methylmalonyl-CoA (CHEBI:15466)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2S)-2-methyl-3-oxopropanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
(S)-2-Methyl-3-oxopropanoyl-CoAKEGG COMPOUND
(S)-2-Methyl-3-oxopropionyl-CoAKEGG COMPOUND
(S)-3-oxo-2-methylpropanoyl-CoAKEGG COMPOUND
(S)-Methylmalonyl-CoAKEGG COMPOUND
(S)-Methylmalonyl-coenzyme AKEGG COMPOUND
Manual XrefsDatabases
C00683KEGG COMPOUND