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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:78797 - henicosanoate
Main
ChEBI Ontology
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ChEBI Name
henicosanoate
ChEBI ID
CHEBI:78797
Definition
A long-chain fatty acid anion resulting from the deprotonation of the carboxy group of henicosanoic acid. Major species at pH 7.3.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
abridge
Supplier Information
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Molfile
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Molfile
Formula
C21H41O2
Net Charge
-1
Average Mass
325.54960
Monoisotopic Mass
325.31120
InChI
InChI=1S/C21H42O2/c1-
2-
3-
4-
5-
6-
7-
8-
9-
10-
11-
12-
13-
14-
15-
16-
17-
18-
19-
20-
21(22)
23/h2-
20H2,1H3,(H,22,23)
/p-
1
InChIKey
CKDDRHZIAZRDBW-UHFFFAOYSA-M
SMILES
CCCCCCCCCCCCCCCCCCCCC([O-])=O
ChEBI Ontology
Outgoing
henicosanoate (
CHEBI:78797
)
is a
fatty acid anion 21:0 (
CHEBI:78893
)
henicosanoate (
CHEBI:78797
)
is a
long-chain fatty acid anion (
CHEBI:57560
)
henicosanoate (
CHEBI:78797
)
is a
straight-chain saturated fatty acid anion (
CHEBI:58954
)
henicosanoate (
CHEBI:78797
)
is conjugate base of
henicosanoic acid (
CHEBI:39248
)
Incoming
20-hydroxyhenicosanoate (
CHEBI:140697
)
has functional parent
henicosanoate (
CHEBI:78797
)
henicosanoic acid (
CHEBI:39248
)
is conjugate acid of
henicosanoate (
CHEBI:78797
)
IUPAC Name
henicosanoate
Synonym
Source
heneicosanoate
UniProt
Registry Number
Type
Source
3670885
Reaxys Registry Number
Reaxys
Last Modified
24 September 2019