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CHEBI:17120 - hexanoate

ChEBI IDCHEBI:17120
ChEBI Namehexanoate
Stars
DefinitionA short-chain fatty acid anion that is the conjugate base of hexanoic acid (also known as caproic acid).
Secondary ChEBI IDsCHEBI:14398, CHEBI:24569
Last Modified11 June 2019
DownloadsMolfile
FormulaC6H11O2
Net Charge-1
Average Mass115.152
Monoisotopic Mass115.07645
SMILESCCCCCC(=O)[O-]
InChIInChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)/p-1
InChIKeyFUZZWVXGSFPDMH-UHFFFAOYSA-M
Roles Classification
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)
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 Relation(s)
(3S,5S)-3,5-diaminohexanoate (CHEBI:21282) has functional parent hexanoate (CHEBI:17120)
N-(6-aminohexanoyl)-6-aminohexanoate (CHEBI:16780) has functional parent hexanoate (CHEBI:17120)
N6-hexanoyl-L-lysine residue (CHEBI:189850) has functional parent hexanoate (CHEBI:17120)
O-hexanoyl-L-serine residue (CHEBI:177289) has functional parent hexanoate (CHEBI:17120)
L-2-aminohexanoate (CHEBI:21203) 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)
1,2-dihexanoyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:138216) 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-3-methylhexanoate (CHEBI:143555) 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)
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  Source
caproateChEBI
nPnCO2 anionNIST Chemistry WebBook
CH3‒[CH2]4‒COO−IUPAC
n-hexoateChEBI
hexylateChEBI
hexoateChEBI
UniProt Name  Source
hexanoateUniProt
Manual XrefsDatabases
C01585KEGG COMPOUND
HEXANOATEMetaCyc
ECMDB21229ECMDB
Registry NumbersSources
Gmelin:326340Gmelin
Beilstein:3601453Beilstein
CAS:151-33-7Beilstein