CHEBI:90222 - (S)-2-methylbutanoyl-CoA

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ChEBI Name (S)-2-methylbutanoyl-CoA
ChEBI ID CHEBI:90222
ChEBI ASCII Name (S)-2-methylbutanoyl-CoA
Definition A (2S)-2-methylacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (2S)-2-methylbutanoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:80225
Supplier Information
Download Molfile XML SDF
Formula C26H44N7O17P3S
Net Charge 0
Average Mass 851.653
Monoisotopic Mass 851.17273
InChI InChI=1S/C26H44N7O17P3S/c1-5-14(2)25(38)54-9-8-28-16(34)6-7-29-23(37)20(36)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-19(49-51(39,40)41)18(35)24(48-15)33-13-32-17-21(27)30-12-31-22(17)33/h12-15,18-20,24,35-36H,5-11H2,1-4H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t14-,15+,18+,19+,20-,24+/m0/s1
InChIKey LYNVNYDEQMMNMZ-JRQZLUQRSA-N
SMILES [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC([C@H](CC)C)=O)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]([C@H]1O)OP(O)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 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): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (S)-2-methylbutanoyl-CoA (CHEBI:90222) has functional parent (S)-2-methylbutyric acid (CHEBI:38655)
(S)-2-methylbutanoyl-CoA (CHEBI:90222) has role mouse metabolite (CHEBI:75771)
(S)-2-methylbutanoyl-CoA (CHEBI:90222) is a (2S)-2-methylacyl-CoA (CHEBI:15451)
(S)-2-methylbutanoyl-CoA (CHEBI:90222) is a 2-methylbutanoyl-CoA (CHEBI:15477)
(S)-2-methylbutanoyl-CoA (CHEBI:90222) is conjugate acid of (S)-2-methylbutanoyl-CoA(4−) (CHEBI:88166)
Incoming (S)-2-methylbutanoyl-CoA(4−) (CHEBI:88166) is conjugate base of (S)-2-methylbutanoyl-CoA (CHEBI:90222)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2S)-2-methylbutanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
(S)-2-methylbutanoyl-coenzyme A ChEBI
(S)-2-methylbutyryl-CoA ChEBI
(S)-2-methylbutyryl-coenzyme A ChEBI
Manual Xref Database
C15980 KEGG COMPOUND
View more database links
Registry Number Type Source
19754696 Reaxys Registry Number Reaxys
Last Modified
27 January 2016