CHEBI:30776 - hexanoic acid

ChEBI IDCHEBI:30776
ChEBI Namehexanoic acid
Stars
DefinitionA C6, straight-chain saturated fatty acid.
Secondary ChEBI IDsCHEBI:5702, CHEBI:24571, CHEBI:40213
Last Modified11 May 2023
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC6H12O2
Net Charge0
Average Mass116.160
Monoisotopic Mass116.08373
SMILESCCCCCC(=O)O
InChIInChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)
InChIKeyFUZZWVXGSFPDMH-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
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).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
(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)
(3R)-3,6-diaminohexanoic acid (CHEBI:85040) has functional parent hexanoic acid (CHEBI:30776)
(3S,5S)-3,5-diaminohexanoic acid (CHEBI:15616) has functional parent hexanoic acid (CHEBI:30776)
(3S)-3,6-diaminohexanoic acid (CHEBI:15613) 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)
(9R,13R)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoic acid (CHEBI:139085) 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-(2S)-hydroxyglycine (CHEBI:142746) 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-4'-phosphopantetheine (CHEBI:132311) has functional parent hexanoic acid (CHEBI:30776)
S-propyl hexanethioate (CHEBI:180249) has functional parent hexanoic acid (CHEBI:30776)
1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphocholine (CHEBI:138198) has functional parent hexanoic acid (CHEBI:30776)
1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphoethanolamine (CHEBI:138923) has functional parent hexanoic acid (CHEBI:30776)
1-hexanoyl-2-heptanoyl-sn-glycero-3-phosphocholine (CHEBI:138197) has functional parent hexanoic acid (CHEBI:30776)
1-hexanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine (CHEBI:86282) has functional parent hexanoic acid (CHEBI:30776)
1-octadecanoyl-2-hexanoyl-sn-glycero-3-phosphocholine (CHEBI:138212) has functional parent hexanoic acid (CHEBI:30776)
1,2-dihexanoyl-sn-glycero-3-phosphocholine (CHEBI:138194) has functional parent hexanoic acid (CHEBI:30776)
1,2-dihexanoyl-sn-glycero-3-phosphoethanolamine (CHEBI:138922) has functional parent hexanoic acid (CHEBI:30776)
1,2-dihexanoyl-sn-glycerol (CHEBI:140526) 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)
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)
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-{4-[hydroxy-(4-nitrophenoxy)phosphoryl]butyrylamino}hexanoic acid (CHEBI:45068) 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)
caproylcholine (CHEBI:74096) has functional parent hexanoic acid (CHEBI:30776)
dethiobiotin (CHEBI:16691) has functional parent hexanoic acid (CHEBI:30776)
hexanamide (CHEBI:142683) 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  Source
Hexylic acidKEGG COMPOUND
Hexanoic acidKEGG COMPOUND
n-Caproic acidKEGG COMPOUND
6:0ChEBI
capronic acidNIST Chemistry WebBook
hexoic acidNIST Chemistry WebBook
Manual XrefsDatabases
C01585KEGG COMPOUND
LMFA01010006LIPID MAPS
6NAPDBeChem
Hexanoic_acidWikipedia
HEXANOATEMetaCyc
HMDB0000535HMDB
C00001218KNApSAcK
ECMDB21229ECMDB
YMDB01424YMDB
Registry NumbersSources
Gmelin:185066Gmelin
Reaxys:773837Reaxys
CAS:142-62-1KEGG COMPOUND
CAS:142-62-1ChemIDplus
CAS:142-62-1NIST Chemistry WebBook
Citations