CHEBI:30776 - hexanoic acid

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ChEBI Name hexanoic acid
ChEBI ID CHEBI:30776
Definition A C6, straight-chain saturated fatty acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:40213, CHEBI:24571, CHEBI:5702
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Formula C6H12O2
Net Charge 0
Average Mass 116.15830
Monoisotopic Mass 116.084
InChI InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)
InChIKey FUZZWVXGSFPDMH-UHFFFAOYSA-N
SMILES CCCCCC(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.
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing hexanoic acid (CHEBI:30776) has role human metabolite (CHEBI:77746)
hexanoic acid (CHEBI:30776) has role plant metabolite (CHEBI:76924)
hexanoic acid (CHEBI:30776) is a medium-chain fatty acid (CHEBI:59554)
hexanoic acid (CHEBI:30776) is a straight-chain saturated fatty acid (CHEBI:39418)
hexanoic acid (CHEBI:30776) is conjugate acid of hexanoate (CHEBI:17120)
Incoming (3R)-3,6-diaminohexanoic acid (CHEBI:85040) has functional parent hexanoic acid (CHEBI:30776)
(3S)-3,6-diaminohexanoic acid (CHEBI:15613) has functional parent hexanoic acid (CHEBI:30776)
(3S,5S)-3,5-diaminohexanoic acid (CHEBI:15616) has functional parent hexanoic acid (CHEBI:30776)
(4S,5S)-4,5-dihydroxy-2,6-dioxohexanoic acid (CHEBI:15624) has functional parent hexanoic acid (CHEBI:30776)
(5R)-5-hydroxyhexanoic acid (CHEBI:78842) has functional parent hexanoic acid (CHEBI:30776)
(5S)-5-amino-3-oxohexanoic acid (CHEBI:27713) has functional parent hexanoic acid (CHEBI:30776)
(R)-3-hydroxyhexanoyl-CoA (CHEBI:74474) has functional parent hexanoic acid (CHEBI:30776)
(S)-(+)-4-(5-carboxypentyl)methamphetamine (CHEBI:67238) has functional parent hexanoic acid (CHEBI:30776)
1-hexanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine (CHEBI:86282) has functional parent hexanoic acid (CHEBI:30776)
2,5-diaminohexanoic acid (CHEBI:16926) has functional parent hexanoic acid (CHEBI:30776)
2,6-dioxo-6-phenylhexanoic acid (CHEBI:15707) has functional parent hexanoic acid (CHEBI:30776)
2-amino-5-oxohexanoic acid (CHEBI:19450) has functional parent hexanoic acid (CHEBI:30776)
2-aminohexanoic acid (CHEBI:36405) has functional parent hexanoic acid (CHEBI:30776)
2-hydroxyhexanoic acid (CHEBI:86542) has functional parent hexanoic acid (CHEBI:30776)
2-oxohexanoic acid (CHEBI:17308) has functional parent hexanoic acid (CHEBI:30776)
3-deoxy-D-glycero-hexo-2,5-diulosonic acid (CHEBI:15623) has functional parent hexanoic acid (CHEBI:30776)
3-hydroxy-5-oxohexanoic acid (CHEBI:37032) has functional parent hexanoic acid (CHEBI:30776)
3-oxohexanoic acid (CHEBI:28422) has functional parent hexanoic acid (CHEBI:30776)
4-hydroxy-2-oxohexanoic acid (CHEBI:27530) has functional parent hexanoic acid (CHEBI:30776)
5-hydroxyhexanoic acid (CHEBI:131434) has functional parent hexanoic acid (CHEBI:30776)
5-oxohexanoic acid (CHEBI:15888) has functional parent hexanoic acid (CHEBI:30776)
6-acetamido-3-aminohexanoic acid (CHEBI:2164) has functional parent hexanoic acid (CHEBI:30776)
6-amino-2-oxohexanoic acid (CHEBI:17534) has functional parent hexanoic acid (CHEBI:30776)
6-aminohexanoic acid (CHEBI:16586) has functional parent hexanoic acid (CHEBI:30776)
6-bromohexanoic acid (CHEBI:60700) has functional parent hexanoic acid (CHEBI:30776)
6-hydroxy-2-oxohexanoic acid (CHEBI:28028) has functional parent hexanoic acid (CHEBI:30776)
6-hydroxyhexanoic acid (CHEBI:17869) has functional parent hexanoic acid (CHEBI:30776)
6-oxohexanoic acid (CHEBI:2490) has functional parent hexanoic acid (CHEBI:30776)
6-{4-[hydroxy-(4-nitrophenoxy)phosphoryl]butyrylamino}hexanoic acid (CHEBI:45068) has functional parent hexanoic acid (CHEBI:30776)
N-(6-aminohexanoyl)-6-aminohexanoic acid (CHEBI:49255) has functional parent hexanoic acid (CHEBI:30776)
N-(hexanoyl)ethanolamine (CHEBI:85303) has functional parent hexanoic acid (CHEBI:30776)
N-caproyl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine (CHEBI:85798) has functional parent hexanoic acid (CHEBI:30776)
N-hexanoyl-β-D-galactosylsphinganine (CHEBI:83251) has functional parent hexanoic acid (CHEBI:30776)
N-hexanoyldihydroceramide (CHEBI:76226) has functional parent hexanoic acid (CHEBI:30776)
N-hexanoylphytosphingosine (CHEBI:88095) has functional parent hexanoic acid (CHEBI:30776)
N-hexanoylphytosphingosine 1-phosphate (CHEBI:90165) has functional parent hexanoic acid (CHEBI:30776)
N-hexanoylsphingosine 1-phosphate (CHEBI:83798) has functional parent hexanoic acid (CHEBI:30776)
N-hexanoylsphingosine-1-phosphocholine (CHEBI:78254) has functional parent hexanoic acid (CHEBI:30776)
N-hexanoylsphingosine-1-phosphoethanolamine (CHEBI:79069) has functional parent hexanoic acid (CHEBI:30776)
S-hexanoyl-4ʼ-phosphopantetheine (CHEBI:132311) has functional parent hexanoic acid (CHEBI:30776)
caproylcholine (CHEBI:74096) has functional parent hexanoic acid (CHEBI:30776)
dethiobiotin (CHEBI:16691) has functional parent hexanoic acid (CHEBI:30776)
hexanoate ester (CHEBI:87656) has functional parent hexanoic acid (CHEBI:30776)
hexanoyl-CoA (CHEBI:27540) has functional parent hexanoic acid (CHEBI:30776)
lysine (CHEBI:25094) has functional parent hexanoic acid (CHEBI:30776)
lysophosphatidylcholine 6:0 (CHEBI:85563) has functional parent hexanoic acid (CHEBI:30776)
perfluorohexanoic acid (CHEBI:83492) has functional parent hexanoic acid (CHEBI:30776)
pescaprein XXIX (CHEBI:67859) has functional parent hexanoic acid (CHEBI:30776)
hexanoate (CHEBI:17120) is conjugate base of hexanoic acid (CHEBI:30776)
hexanoyl group (CHEBI:24574) is substituent group from hexanoic acid (CHEBI:30776)
IUPAC Name
hexanoic acid
Synonyms Sources
1-hexanoic acid ChemIDplus
1-pentanecarboxylic acid ChemIDplus
6:0 ChEBI
butylacetic acid ChemIDplus
C6:0 ChEBI
caproic acid ChEBI
capronic acid NIST Chemistry WebBook
CH3‒[CH2]4‒COOH IUPAC
Hexanoate KEGG COMPOUND
Hexanoic acid KEGG COMPOUND
HEXANOIC ACID PDBeChem
hexoic acid NIST Chemistry WebBook
Hexylic acid KEGG COMPOUND
n-Caproic acid KEGG COMPOUND
n-hexanoic acid NIST Chemistry WebBook
n-hexoic acid ChemIDplus
n-hexylic acid ChemIDplus
Pentanecarboxylic acid ChemIDplus
pentiformic acid ChemIDplus
pentylformic acid ChemIDplus
Database Links Databases
6NA PDBeChem
C00001218 KNApSAcK
C01585 KEGG COMPOUND
ECMDB21229 ECMDB
HEXANOATE MetaCyc
Hexanoic_acid Wikipedia
HMDB00535 HMDB
LMFA01010006 LIPID MAPS
YMDB01424 YMDB
View more database links
Registry Numbers Types Sources
142-62-1 CAS Registry Number KEGG COMPOUND
142-62-1 CAS Registry Number ChemIDplus
142-62-1 CAS Registry Number NIST Chemistry WebBook
185066 Gmelin Registry Number Gmelin
773837 Reaxys Registry Number Reaxys
773837 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
10685018 PubMed citation Europe PMC
1556177 PubMed citation Europe PMC
24357269 PubMed citation Europe PMC
24924750 PubMed citation Europe PMC
Last Modified
13 October 2016
General Comment
2011-03-29 Together with caprylic (C8) and capric (C10) acids, caproic acid constitutes 15% of goat milk fat (L. caper = goat).