CHEBI:17120 - hexanoate

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ChEBI Name hexanoate
ChEBI ID CHEBI:17120
Definition A short-chain fatty acid anion that is the conjugate base of hexanoic acid (also known as caproic acid).
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:14398, CHEBI:24569
Supplier Information
Download Molfile XML SDF
Formula C6H11O2
Net Charge -1
Average Mass 115.15034
Monoisotopic Mass 115.07645
InChI InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)/p-1
InChIKey FUZZWVXGSFPDMH-UHFFFAOYSA-M
SMILES CCCCCC([O-])=O
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing hexanoate (CHEBI:17120) has role human metabolite (CHEBI:77746)
hexanoate (CHEBI:17120) has role plant metabolite (CHEBI:76924)
hexanoate (CHEBI:17120) is a fatty acid anion 6:0 (CHEBI:78116)
hexanoate (CHEBI:17120) is a short-chain fatty acid anion (CHEBI:58951)
hexanoate (CHEBI:17120) is a straight-chain saturated fatty acid anion (CHEBI:58954)
hexanoate (CHEBI:17120) is conjugate base of hexanoic acid (CHEBI:30776)
Incoming (3S,5S)-3,5-diaminohexanoate (CHEBI:21282) has functional parent hexanoate (CHEBI:17120)
1,2-dihexanoyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:138216) has functional parent hexanoate (CHEBI:17120)
1-caproyl-sn-glycero-3-phosphate(2−) (CHEBI:78223) has functional parent hexanoate (CHEBI:17120)
1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:138217) has functional parent hexanoate (CHEBI:17120)
2-amino-5-oxohexanoate (CHEBI:1010) has functional parent hexanoate (CHEBI:17120)
2-oxohexanoate (CHEBI:35177) has functional parent hexanoate (CHEBI:17120)
3-hydroxy-5-oxohexanoate (CHEBI:20051) has functional parent hexanoate (CHEBI:17120)
3-hydroxyhexanoate (CHEBI:20070) has functional parent hexanoate (CHEBI:17120)
3-oxohexanoate (CHEBI:37030) has functional parent hexanoate (CHEBI:17120)
4-hydroxy-2-oxohexanoate (CHEBI:53800) has functional parent hexanoate (CHEBI:17120)
5-oxohexanoate (CHEBI:12154) has functional parent hexanoate (CHEBI:17120)
6-acetamido-3-aminohexanoate (CHEBI:17125) has functional parent hexanoate (CHEBI:17120)
6-acetamido-3-oxohexanoate (CHEBI:17982) has functional parent hexanoate (CHEBI:17120)
6-aminohexanoate (CHEBI:32396) has functional parent hexanoate (CHEBI:17120)
6-hydroxyhexanoate (CHEBI:32383) has functional parent hexanoate (CHEBI:17120)
6-oxohexanoate (CHEBI:18322) has functional parent hexanoate (CHEBI:17120)
N-(6-aminohexanoyl)-6-aminohexanoate (CHEBI:16780) has functional parent hexanoate (CHEBI:17120)
L-2-aminohexanoate (CHEBI:21203) has functional parent hexanoate (CHEBI:17120)
hexanoyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:138267) has functional parent hexanoate (CHEBI:17120)
sodium hexanoate (CHEBI:114126) has part hexanoate (CHEBI:17120)
hexanoic acid (CHEBI:30776) is conjugate acid of hexanoate (CHEBI:17120)
IUPAC Name
hexanoate
Synonyms Sources
1-hexanoate ChEBI
1-pentacarboxylate ChEBI
1-pentanecarboxylate ChEBI
butylacetate ChEBI
caproate ChEBI
capronate ChEBI
CH3‒[CH2]4‒COO IUPAC
hexanoate UniProt
hexoate ChEBI
hexylate ChEBI
n-caproate ChEBI
n-hexanoate ChEBI
n-hexoate ChEBI
n-hexylate ChEBI
nPnCO2 anion NIST Chemistry WebBook
pentanecarboxylate ChEBI
pentylformate ChEBI
Manual Xrefs Databases
C01585 KEGG COMPOUND
ECMDB21229 ECMDB
HEXANOATE MetaCyc
View more database links
Registry Numbers Types Sources
151-33-7 CAS Registry Number Beilstein
326340 Gmelin Registry Number Gmelin
3601453 Beilstein Registry Number Beilstein
Last Modified
12 April 2016