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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:32362 - heptanoate
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ChEBI Ontology
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ChEBI Name
heptanoate
ChEBI ID
CHEBI:32362
Definition
A medium-chain fatty acid anion that is the conjugate base of heptanoic acid; shown in myocardial ischaemia/reperfusion studies to increase levels of C
4
Kreb's cycle intermediates.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C7H13O2
Net Charge
-1
Average Mass
129.17692
Monoisotopic Mass
129.09210
InChI
InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)/p-1
InChIKey
MNWFXJYAOYHMED-UHFFFAOYSA-M
SMILES
CCCCCCC([O-])=O
Roles Classification
Biological Role
(s):
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
heptanoate (
CHEBI:32362
)
has role
plant metabolite (
CHEBI:76924
)
heptanoate (
CHEBI:32362
)
is a
medium-chain fatty acid anion (
CHEBI:59558
)
heptanoate (
CHEBI:32362
)
is a
straight-chain saturated fatty acid anion (
CHEBI:58954
)
heptanoate (
CHEBI:32362
)
is conjugate base of
heptanoic acid (
CHEBI:45571
)
Incoming
1-heptanoyl-2-hexanoyl-
sn
-glycero-3-phosphoethanolamine zwitterion (
CHEBI:138217
)
has functional parent
heptanoate (
CHEBI:32362
)
2,4,6-trioxoheptanoate (
CHEBI:19338
)
has functional parent
heptanoate (
CHEBI:32362
)
3-isopropenyl-6-oxoheptanoate (
CHEBI:64234
)
has functional parent
heptanoate (
CHEBI:32362
)
O
-heptanoyl-
L
-serine residue (
CHEBI:177290
)
has functional parent
heptanoate (
CHEBI:32362
)
heptanoic acid (
CHEBI:45571
)
is conjugate acid of
heptanoate (
CHEBI:32362
)
IUPAC Name
heptanoate
Synonyms
Sources
(7:0)
ChEBI
1-hexanecarboxylate
ChEBI
CH
3
‒[CH
2
]
5
‒COO
−
IUPAC
enanthate
ChEBI
enanthylate
ChEBI
heptanoate
UniProt
heptanoic acid, ion(1−)
ChemIDplus
heptoate
ChEBI
heptylate
ChEBI
n-heptanoate
ChEBI
n-heptoate
ChEBI
n-heptylate
ChEBI
oenanthate
ChEBI
oenanthylate
ChEBI
Manual Xref
Database
CPD-7619
MetaCyc
View more database links
Registry Numbers
Types
Sources
327115
Gmelin Registry Number
Gmelin
3903940
Reaxys Registry Number
Reaxys
3903940
Beilstein Registry Number
Beilstein
7563-37-3
CAS Registry Number
ChemIDplus
Citation
Type
Source
16141384
PubMed citation
Europe PMC
Last Modified
27 September 2016