CHEBI:74904 - isocaproate

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ChEBI Name isocaproate
ChEBI ID CHEBI:74904
Definition A branched-chain saturated fatty acid anion that is pentanoate with a methyl group substituent at position 4.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C6H11O2
Net Charge -1
Average Mass 115.15030
Monoisotopic Mass 115.07645
InChI InChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)/p-1
InChIKey FGKJLKRYENPLQH-UHFFFAOYSA-M
SMILES CC(C)CCC([O-])=O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing isocaproate (CHEBI:74904) has role metabolite (CHEBI:25212)
isocaproate (CHEBI:74904) is a branched-chain saturated fatty acid anion (CHEBI:58956)
isocaproate (CHEBI:74904) is a medium-chain fatty acid anion (CHEBI:59558)
isocaproate (CHEBI:74904) is conjugate base of isocaproic acid (CHEBI:74903)
Incoming isocaproic acid (CHEBI:74903) is conjugate acid of isocaproate (CHEBI:74904)
IUPAC Name
4-methylpentanoate
Synonyms Sources
4,4-Dimethylbutanoate ChEBI
4-Methyl-N-valerate ChEBI
4-Methyl-pentanoate ChEBI
4-Methyl-Valerate ChEBI
4-methylpentanoate UniProt
4-Methylvalerate ChEBI
Isobutylacetate ChEBI
Isohexanoate ChEBI
Isohexoate ChEBI
Registry Number Type Source
3903785 Reaxys Registry Number Reaxys
Last Modified
04 March 2016