CHEBI:179879 - 4-methyl-octanoic acid

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ChEBI Name 4-methyl-octanoic acid
ChEBI ID CHEBI:179879
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C9H18O2
Net Charge 0
Average Mass 158.241
Monoisotopic Mass 158.13068
InChI InChI=1S/C9H18O2/c1-3-4-5-8(2)6-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
InChIKey LEGGANXCVQPIAI-UHFFFAOYSA-N
SMILES OC(=O)CCC(CCCC)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 4-methyl-octanoic acid (CHEBI:179879) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name
4-methyloctanoic acid
Manual Xrefs Databases
55926 ChemSpider
HMDB0031557 HMDB
LMFA01020244 LIPID MAPS
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Registry Number Type Source
54947-74-9 CAS Registry Number ChemIDplus