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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:25646 - octanoate
Main
ChEBI Ontology
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ChEBI Name
octanoate
ChEBI ID
CHEBI:25646
Definition
A straight-chain saturated fatty acid anion that is the conjugate base of octanoic acid (caprylic acid); believed to block adipogenesis.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Molfile
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Molfile
Formula
C8H15O2
Net Charge
-1
Average Mass
143.204
Monoisotopic Mass
143.10775
InChI
InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)/p-1
InChIKey
WWZKQHOCKIZLMA-UHFFFAOYSA-M
SMILES
C(CCCCCC)C(=O)[O-]
Metabolite of Species
Details
Saccharomyces cerevisiae
(NCBI:txid4932)
Source: yeast.sf.net See:
PubMed
Homo sapiens
(NCBI:txid9606)
See:
DOI
Roles Classification
Biological Role
(s):
Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (
Saccharomyces cerevisiae
).
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
octanoate (
CHEBI:25646
)
has role
Saccharomyces cerevisiae
metabolite (
CHEBI:75772
)
octanoate (
CHEBI:25646
)
has role
human metabolite (
CHEBI:77746
)
octanoate (
CHEBI:25646
)
is a
fatty acid anion 8:0 (
CHEBI:78117
)
octanoate (
CHEBI:25646
)
is a
straight-chain saturated fatty acid anion (
CHEBI:58954
)
octanoate (
CHEBI:25646
)
is conjugate base of
octanoic acid (
CHEBI:28837
)
Incoming
1,2-dioctanoyl-
sn
-glycero-3-phosphate(2−) (
CHEBI:78229
)
has functional parent
octanoate (
CHEBI:25646
)
1-octanoyl-
sn
-glycero-2,3-cyclic-phosphate(1−) (
CHEBI:143876
)
has functional parent
octanoate (
CHEBI:25646
)
1-octanoyl-
sn
-glycero-3-phosphocholine zwitterion (
CHEBI:143866
)
has functional parent
octanoate (
CHEBI:25646
)
2-oxooctanoate (
CHEBI:176689
)
has functional parent
octanoate (
CHEBI:25646
)
6-hydroxy-3,7-dimethyloctanoate (
CHEBI:64223
)
has functional parent
octanoate (
CHEBI:25646
)
8-[(1
R
,2
R
)-3-oxo-2-{(
Z
)-pent-2-en-1-yl}cyclopentyl]octanoate (
CHEBI:15720
)
has functional parent
octanoate (
CHEBI:25646
)
8-[(1
S
,2
S
)-3-oxo-2-{(
Z
)-pent-2-en-1-yl}cyclopentyl]octanoate (
CHEBI:191855
)
has functional parent
octanoate (
CHEBI:25646
)
N
-octanoyl-3-ketodihydrosphingosine (
CHEBI:189539
)
has functional parent
octanoate (
CHEBI:25646
)
O
-octanoyl-
L
-serine residue (
CHEBI:143548
)
has functional parent
octanoate (
CHEBI:25646
)
O
-octanoyl-
L
-threonine residue (
CHEBI:143547
)
has functional parent
octanoate (
CHEBI:25646
)
dihydrolipoate (
CHEBI:30316
)
has functional parent
octanoate (
CHEBI:25646
)
lipoate (
CHEBI:30313
)
has functional parent
octanoate (
CHEBI:25646
)
sodium octanoate (
CHEBI:132100
)
has part
octanoate (
CHEBI:25646
)
octanoic acid (
CHEBI:28837
)
is conjugate acid of
octanoate (
CHEBI:25646
)
IUPAC Name
octanoate
Synonyms
Sources
1-heptanecarboxylate
ChEBI
caprilate
ChEBI
caprylate
ChEBI
CH
3
‒[CH
2
]
6
‒COO
−
ChEBI
n
-caprylate
ChEBI
n
-octanoate
ChEBI
n
-octoate
ChEBI
n
-octylate
ChEBI
octanoate
UniProt
octanoate
ChemIDplus
octanoic acid, ion(1−)
ChemIDplus
octylate
ChEBI
Manual Xref
Database
c0047
UM-BBD
View more database links
Registry Numbers
Types
Sources
329219
Gmelin Registry Number
Gmelin
3588079
Beilstein Registry Number
Beilstein
3588079
Reaxys Registry Number
Reaxys
74-81-7
CAS Registry Number
ChemIDplus
Citation
Type
Source
11983812
PubMed citation
Europe PMC
Last Modified
13 May 2022