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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:17120 - hexanoate
Main
ChEBI Ontology
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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
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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
(3
S
,5
S
)-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-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
)
N
-(6-aminohexanoyl)-6-aminohexanoate (
CHEBI:16780
)
has functional parent
hexanoate (
CHEBI:17120
)
N
6
-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
)
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
CH
3
‒[CH
2
]
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
11 June 2019