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CHEBI:45571 - heptanoic acid

ChEBI IDCHEBI:45571
ChEBI Nameheptanoic acid
Stars
DefinitionA C7, straight-chain fatty acid that contributes to the odour of some rancid oils. Used in the preparation of esters for the fragrance industry, and as an additive in cigarettes.
Secondary ChEBI IDsCHEBI:24519, CHEBI:45568
Last Modified15 January 2018
DownloadsMolfile

FormulaC7H14O2
Net Charge0
Average Mass130.187
Monoisotopic Mass130.09938
SMILESCCCCCCC(=O)O
InChIInChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)
InChIKeyMNWFXJYAOYHMED-UHFFFAOYSA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
heptanoic acid
Synonyms  Source
enanthic acidNIST Chemistry WebBook
n-heptanoic acidNIST Chemistry WebBook
heptoic acidNIST Chemistry WebBook
heptylic acidNIST Chemistry WebBook
CH3‒[CH2]5‒COOHIUPAC
HEPTANOIC ACIDPDBeChem
Manual XrefsDatabases
SHVPDBeChem
LMFA01010007LIPID MAPS
DB02938DrugBank
CPD-7619MetaCyc
HMDB0000666HMDB
Heptanoic_acidWikipedia
C17714KEGG COMPOUND
Registry NumbersSources
Gmelin:142428Gmelin
Beilstein:1744723Beilstein
Reaxys:1744723Reaxys
CAS:111-14-8ChemIDplus
CAS:111-14-8NIST Chemistry WebBook
CAS:111-14-8KEGG COMPOUND
Citations