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InChI=1S/CH4O/c1-2/h2H,1H3
,
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ChEBI
> Main
CHEBI:137494 - 13(
S
)-HETE
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ChEBI Name
13(
S
)-HETE
ChEBI ID
CHEBI:137494
ChEBI ASCII Name
13(S)-HETE
Definition
A 13-HETE in which the stereocentre at position 13 has
S
-configuration.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C20H32O3
Net Charge
0
Average Mass
320.467
Monoisotopic Mass
320.23514
InChI
InChI=1S/C20H32O3/c1-
2-
3-
4-
10-
13-
16-
19(21)
17-
14-
11-
8-
6-
5-
7-
9-
12-
15-
18-
20(22)
23/h6-
9,13-
14,16-
17,19,21H,2-
5,10-
12,15,18H2,1H3,(H,22,23)
/b8-
6-
,9-
7-
,16-
13-
,17-
14-
/t19-
/m0/s1
InChIKey
SAKQICHVWOJSNI-ABTNKUQXSA-N
SMILES
O=C(CCC/C=C\C/C=C\C/C=C\[C@H](/C=C\CCCCC)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):
rat metabolite
Any mammalian metabolite produced during a metabolic reaction in rat (
Rattus norvegicus
).
(via
13-HETE
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
13(
S
)-HETE (
CHEBI:137494
)
is a
13-HETE (
CHEBI:137345
)
13(
S
)-HETE (
CHEBI:137494
)
is conjugate acid of
13(
S
)-HETE(1−) (
CHEBI:136654
)
Incoming
13(
S
)-HETE(1−) (
CHEBI:136654
)
is conjugate base of
13(
S
)-HETE (
CHEBI:137494
)
IUPAC Name
(5
Z
,8
Z
,11
Z
,13
S
,14
Z
)-13-hydroxyicosa-5,8,11,14-tetraenoic acid
Synonyms
Sources
(13
S
)-HETE
ChEBI
(5
Z
,8
Z
,11
Z
,13
S
,14
Z
)-13-hydroxyicosatetraenoic acid
ChEBI
13(
S
)-hydroxy-(5
Z
,8
Z
,11
Z
,14
Z
)-eicosatetraenoic acid
ChEBI
13(
S
)-hydroxy-(5
Z
,8
Z
,11
Z
,14
Z
)-icosatetraenoic acid
ChEBI
Registry Number
Type
Source
24193912
Reaxys Registry Number
Reaxys
Citation
Type
Source
9866708
PubMed citation
Europe PMC
Last Modified
21 June 2017