CHEBI:179535 - 4-Methylnonanoic 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 4-Methylnonanoic acid
ChEBI ID CHEBI:179535
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C10H20O2
Net Charge 0
Average Mass 172.268
Monoisotopic Mass 172.14633
InChI InChI=1S/C10H20O2/c1-3-4-5-6-9(2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)
InChIKey WQTZCQIRCYSUBQ-UHFFFAOYSA-N
SMILES OC(=O)CCC(CCCCC)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-Methylnonanoic acid (CHEBI:179535) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name
4-methylnonanoic acid
Manual Xrefs Databases
55851 ChemSpider
HMDB0034849 HMDB
LMFA01020408 LIPID MAPS
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Registry Number Type Source
45019-28-1 CAS Registry Number ChemIDplus