CHEBI:15466 - (S)-methylmalonyl-CoA

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ChEBI Name (S)-methylmalonyl-CoA
ChEBI ID CHEBI:15466
ChEBI ASCII Name (S)-methylmalonyl-CoA
Definition The (S)-enantiomer of methylmalonyl-CoA.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11038, CHEBI:43874, CHEBI:384, CHEBI:11068, CHEBI:18742
Supplier Information ChemicalBook:CB94798094, ChemicalBook:CB52622685, ChemicalBook:CB5274961, ChemicalBook:CB1252206, eMolecules:31226118, eMolecules:2736271, Selleckchem:fluticasone-propionate-Flonase-Veramyst, ZINC000003920027
Download Molfile XML SDF
Formula C25H40N7O19P3S
Net Charge 0
Average Mass 867.60816
Monoisotopic Mass 867.13125
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+/m0/s1
InChIKey MZFOKIKEPGUZEN-IBNUZSNCSA-N
SMILES C[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]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Escherichia coli (NCBI:txid562) 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).
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via methylmalonyl-CoA )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 (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 Sources
(S)-2-Methyl-3-oxopropanoyl-CoA KEGG COMPOUND
(S)-2-Methyl-3-oxopropionyl-CoA KEGG COMPOUND
(S)-3-oxo-2-methylpropanoyl-CoA KEGG COMPOUND
(S)-Methylmalonyl-CoA KEGG COMPOUND
(S)-Methylmalonyl-coenzyme A KEGG COMPOUND
Manual Xref Database
C00683 KEGG COMPOUND
View more database links
Last Modified
27 January 2016