CHEBI:45571 - heptanoic acid

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ChEBI Name heptanoic acid
ChEBI ID CHEBI:45571
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:45568, CHEBI:24519
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Formula C7H14O2
Net Charge 0
Average Mass 130.18486
InChI InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)
InChIKey MNWFXJYAOYHMED-UHFFFAOYSA-N
SMILES CCCCCCC(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via fatty acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing heptanoic acid (CHEBI:45571) has role plant metabolite (CHEBI:76924)
heptanoic acid (CHEBI:45571) is a medium-chain fatty acid (CHEBI:59554)
heptanoic acid (CHEBI:45571) is a straight-chain saturated fatty acid (CHEBI:39418)
heptanoic acid (CHEBI:45571) is conjugate acid of heptanoate (CHEBI:32362)
Incoming (2R)-aminoheptanoic acid (CHEBI:73738) has functional parent heptanoic acid (CHEBI:45571)
(3R,5R)-7-{4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl}-3,5-dihydroxyheptanoic acid (CHEBI:42405) has functional parent heptanoic acid (CHEBI:45571)
(3S)-3,7-diaminoheptanoic acid (CHEBI:41030) has functional parent heptanoic acid (CHEBI:45571)
2-amino-4,5-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid (CHEBI:52669) has functional parent heptanoic acid (CHEBI:45571)
2-hydroxyheptanoic acid (CHEBI:73752) has functional parent heptanoic acid (CHEBI:45571)
3-isopropenyl-6-oxoheptanoic acid (CHEBI:64264) has functional parent heptanoic acid (CHEBI:45571)
6-hydroxyheptanoic acid (CHEBI:78774) has functional parent heptanoic acid (CHEBI:45571)
7-hydroxyheptanoic acid (CHEBI:79112) has functional parent heptanoic acid (CHEBI:45571)
N-heptanoylglycine (CHEBI:74433) has functional parent heptanoic acid (CHEBI:45571)
O-heptanoylcarnitine (CHEBI:74303) has functional parent heptanoic acid (CHEBI:45571)
atorvastatin (CHEBI:39548) has functional parent heptanoic acid (CHEBI:45571)
enanthate ester (CHEBI:50898) has functional parent heptanoic acid (CHEBI:45571)
ethyl heptanoate (CHEBI:86618) has functional parent heptanoic acid (CHEBI:45571)
glucoheptonic acid (CHEBI:67270) has functional parent heptanoic acid (CHEBI:45571)
heptanoyl-CoA (CHEBI:37283) has functional parent heptanoic acid (CHEBI:45571)
perfluoroheptanoic acid (CHEBI:35547) has functional parent heptanoic acid (CHEBI:45571)
heptanoate (CHEBI:32362) is conjugate base of heptanoic acid (CHEBI:45571)
heptanoyl group (CHEBI:32363) is substituent group from heptanoic acid (CHEBI:45571)
IUPAC Name
heptanoic acid
Synonyms Sources
CH3‒[CH2]5‒COOH IUPAC
enanthic acid NIST Chemistry WebBook
enanthylic acid ChemIDplus
HEPTANOIC ACID PDBeChem
Heptansäure ChEBI
heptoic acid NIST Chemistry WebBook
heptylic acid NIST Chemistry WebBook
n-heptanoic acid NIST Chemistry WebBook
n-heptoic acid ChemIDplus
n-heptylic acid ChemIDplus
oenanthic acid ChemIDplus
oenanthylic acid ChemIDplus
Önanthsäure ChemIDplus
Database Links Databases
C17714 KEGG COMPOUND
CPD-7619 MetaCyc
DB02938 DrugBank
Heptanoic_acid Wikipedia
HMDB00666 HMDB
LMFA01010007 LIPID MAPS
SHV PDBeChem
View more database links
Registry Numbers Types Sources
111-14-8 CAS Registry Number ChemIDplus
111-14-8 CAS Registry Number NIST Chemistry WebBook
142428 Gmelin Registry Number Gmelin
1744723 Beilstein Registry Number Beilstein
1744723 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
23999410 PubMed citation CiteXplore
Last Modified
23 October 2015