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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:72786 - 9-HETE
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ChEBI Name
9-HETE
ChEBI ID
CHEBI:72786
Definition
An HETE that is (5
Z
,7
E
,11
Z
,14
Z
)-icosa-5,7,11,14-tetraenoic acid in which the hydroxy group is located at position 9.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C20H32O3
Net Charge
0
Average Mass
320.46630
Monoisotopic Mass
320.23514
InChI
InChI=1S/C20H32O3/c1-
2-
3-
4-
5-
6-
7-
8-
10-
13-
16-
19(21)
17-
14-
11-
9-
12-
15-
18-
20(22)
23/h6-
7,9-
11,13-
14,17,19,21H,2-
5,8,12,15-
16,18H2,1H3,(H,22,23)
/b7-
6-
,11-
9-
,13-
10-
,17-
14+
InChIKey
KATOYYZUTNAWSA-OIZRIKEUSA-N
SMILES
CCCCC\C=C/C\C=C/CC(O)\C=C\C=C/CCCC(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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
9-HETE (
CHEBI:72786
)
has role
metabolite (
CHEBI:25212
)
9-HETE (
CHEBI:72786
)
is a
HETE (
CHEBI:36275
)
9-HETE (
CHEBI:72786
)
is conjugate acid of
9-HETE(1−) (
CHEBI:133850
)
Incoming
9-HETE(1−) (
CHEBI:133850
)
is conjugate base of
9-HETE (
CHEBI:72786
)
IUPAC Name
(5
Z
,7
E
,11
Z
,14
Z
)-9-hydroxyicosa-5,7,11,14-tetraenoic acid
Synonyms
Sources
9-hydroxy-(5
Z
,7
E
,11
Z
,14
Z
)-icosatetraenoic acid
ChEBI
9-hydroxy-5
Z
,7
E
,11
Z
,14
Z
-eicosatetraenoic acid
LIPID MAPS
Manual Xref
Database
LMFA03060089
LIPID MAPS
View more database links
Registry Number
Type
Source
4476711
Reaxys Registry Number
Reaxys
Last Modified
01 March 2017