CHEBI:165362 - 3-Methyl-hexanoic acid

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 3-Methyl-hexanoic acid
ChEBI ID CHEBI:165362
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C7H14O2
Net Charge 0
Average Mass 130.187
Monoisotopic Mass 130.09938
InChI InChI=1S/C7H14O2/c1-3-4-6(2)5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
InChIKey NZQMQVJXSRMTCJ-UHFFFAOYSA-N
SMILES OC(=O)CC(CCC)C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 3-Methyl-hexanoic acid (CHEBI:165362) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name
3-methylhexanoic acid
Manual Xrefs Databases
86012 ChemSpider
LMFA01020081 LIPID MAPS
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Registry Number Type Source
3780-58-3 CAS Registry Number ChemIDplus