CHEBI:179997 - 5-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 5-methyl-hexanoic acid
ChEBI ID CHEBI:179997
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/c1-6(2)4-3-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
InChIKey MHPUGCYGQWGLJL-UHFFFAOYSA-N
SMILES OC(=O)CCCC(C)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 5-methyl-hexanoic acid (CHEBI:179997) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name
5-methylhexanoic acid
Manual Xrefs Databases
11839 ChemSpider
HMDB0031595 HMDB
LMFA01020083 LIPID MAPS
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Registry Number Type Source
628-46-6 CAS Registry Number ChemIDplus