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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:32377 - petroselaidate
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ChEBI Ontology
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ChEBI Name
petroselaidate
ChEBI ID
CHEBI:32377
Definition
An unsaturated fatty acid anion resulting from the deprotonation of the carboxy group of petroselaidic acid. The major species at pH 7.3.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
No supplier information found for this compound.
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Molfile
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Molfile
Formula
C18H33O2
Net Charge
-1
Average Mass
281.454
Monoisotopic Mass
281.24860
InChI
InChI=1S/C18H34O2/c1-
2-
3-
4-
5-
6-
7-
8-
9-
10-
11-
12-
13-
14-
15-
16-
17-
18(19)
20/h12-
13H,2-
11,14-
17H2,1H3,(H,19,20)
/p-
1/b13-
12+
InChIKey
CNVZJPUDSLNTQU-OUKQBFOZSA-M
SMILES
C(=O)(CCCC/C=C/CCCCCCCCCCC)[O-]
ChEBI Ontology
Outgoing
petroselaidate (
CHEBI:32377
)
is a
long-chain fatty acid anion (
CHEBI:57560
)
petroselaidate (
CHEBI:32377
)
is a
unsaturated fatty acid anion (
CHEBI:2580
)
petroselaidate (
CHEBI:32377
)
is conjugate base of
petroselaidic acid (
CHEBI:30829
)
Incoming
petroselaidic acid (
CHEBI:30829
)
is conjugate acid of
petroselaidate (
CHEBI:32377
)
IUPAC Name
(6
E
)-octadec-6-enoate
Synonyms
Sources
6
E
-octadecenoate
ChEBI
octadec-6
t
-enoate
ChEBI
trans
-6-octadecenoate
ChEBI
trans
-Δ
6
-octadecenoate
ChEBI
trans
-octadec-6-enoate
ChEBI
Last Modified
10 November 2015