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ChEBI
> Main
CHEBI:72625 - 9-HOTrE
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ChEBI Ontology
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ChEBI Name
9-HOTrE
ChEBI ID
CHEBI:72625
Definition
A hydroxyoctadecatrienoic acid that consists of 10
E
,12
Z
,15
Z
-octadecatrienoic acid bearing an additional 9-hydroxy substituent.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C18H30O3
Net Charge
0
Average Mass
294.42900
Monoisotopic Mass
294.21949
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)
/b4-
3-
,8-
6-
,14-
11+
InChIKey
RIGGEAZDTKMXSI-CUHSZNQNSA-N
SMILES
CC\C=C/C\C=C/C=C/C(O)CCCCCCCC(O)=O
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via
HOTrE
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
9-HOTrE (
CHEBI:72625
)
has role
metabolite (
CHEBI:25212
)
9-HOTrE (
CHEBI:72625
)
is a
HOTrE (
CHEBI:72804
)
9-HOTrE (
CHEBI:72625
)
is a
hydroxy fatty acid (
CHEBI:24654
)
9-HOTrE (
CHEBI:72625
)
is conjugate acid of
9-HOTrE(1−) (
CHEBI:77949
)
Incoming
9(
S
)-HOTrE (
CHEBI:80447
)
is a
9-HOTrE (
CHEBI:72625
)
9-HOTrE(1−) (
CHEBI:77949
)
is conjugate base of
9-HOTrE (
CHEBI:72625
)
IUPAC Name
(10
E
,12
Z
,15
Z
)-9-hydroxyoctadeca-10,12,15-trienoic acid
Synonym
Source
9-hydroxy-10
E
,12
Z
,15
Z
-octadecatrienoic acid
ChEBI
Registry Number
Type
Source
2285133
Reaxys Registry Number
Reaxys
Last Modified
08 June 2016