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ChEBI
> Main
CHEBI:77949 - 9-HOTrE(1−)
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ChEBI Name
9-HOTrE(1−)
ChEBI ID
CHEBI:77949
ChEBI ASCII Name
9-HOTrE(1-)
Definition
A polyunsaturated fatty acid anion that is the conjugate base of 9-HOTrE, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
KAX
Supplier Information
No supplier information found for this compound.
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Formula
C18H29O3
Net Charge
-1
Average Mass
293.42160
Monoisotopic Mass
293.21222
InChI
InChI=1S/C18H30O3/c1-
2-
3-
4-
5-
6-
8-
11-
14-
17(19)
15-
12-
9-
7-
10-
13-
16-
18(20)
21/h3-
4,6,8,11,14,17,19H,2,5,7,9-
10,12-
13,15-
16H2,1H3,(H,20,21)
/p-
1/b4-
3-
,8-
6-
,14-
11+
InChIKey
RIGGEAZDTKMXSI-CUHSZNQNSA-M
SMILES
CC\C=C/C\C=C/C=C/C(O)CCCCCCCC([O-])=O
ChEBI Ontology
Outgoing
9-HOTrE(1−) (
CHEBI:77949
)
is a
hydroxy fatty acid anion (
CHEBI:59835
)
9-HOTrE(1−) (
CHEBI:77949
)
is a
long-chain fatty acid anion (
CHEBI:57560
)
9-HOTrE(1−) (
CHEBI:77949
)
is a
polyunsaturated fatty acid anion (
CHEBI:76567
)
9-HOTrE(1−) (
CHEBI:77949
)
is conjugate base of
9-HOTrE (
CHEBI:72625
)
Incoming
9-HOTrE (
CHEBI:72625
)
is conjugate acid of
9-HOTrE(1−) (
CHEBI:77949
)
IUPAC Name
(10
E
,12
Z
,15
Z
)-9-hydroxyoctadeca-10,12,15-trienoate
Last Modified
09 June 2014