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ChEBI
> Main
CHEBI:84441 - 13(
S
)-HOTrE
Main
ChEBI Ontology
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ChEBI Name
13(
S
)-HOTrE
ChEBI ID
CHEBI:84441
ChEBI ASCII Name
13(S)-HOTrE
Definition
The (13
S
)-stereoisomer of HOTrE.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:80442
Supplier Information
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Molfile
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Molfile
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Molfile
Formula
C18H30O3
Net Charge
0
Average Mass
294.435
Monoisotopic Mass
294.21949
InChI
InChI=1S/C18H30O3/c1-
2-
3-
11-
14-
17(19)
15-
12-
9-
7-
5-
4-
6-
8-
10-
13-
16-
18(20)
21/h3,7,9,11-
12,15,17,19H,2,4-
6,8,10,13-
14,16H2,1H3,(H,20,21)
/b9-
7-
,11-
3-
,15-
12+/t17-
/m0/s1
InChIKey
KLLGGGQNRTVBSU-FQSPHKRJSA-N
SMILES
C(CCCC(O)=O)CCC/C=C\C=C\[C@H](C/C=C\CC)O
Metabolite of Species
Details
Mus musculus
(NCBI:txid10090)
See:
MetaboLights Study
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):
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
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
13(
S
)-HOTrE (
CHEBI:84441
)
has role
mouse metabolite (
CHEBI:75771
)
13(
S
)-HOTrE (
CHEBI:84441
)
is a
13-HOTrE (
CHEBI:72641
)
13(
S
)-HOTrE (
CHEBI:84441
)
is conjugate acid of
13(
S
)-HOTrE(1−) (
CHEBI:90773
)
Incoming
13(
S
)-HOTrE(1−) (
CHEBI:90773
)
is conjugate base of
13(
S
)-HOTrE (
CHEBI:84441
)
IUPAC Name
(9
Z
,11
E
,13
S
,15
Z
)-13-hydroxyoctadeca-9,11,15-trienoic acid
Synonyms
Sources
(9
Z
,11
E
,15
Z
)-(13
S
)-13-hydroxyoctadeca-9,11,15-trienoic acid
KEGG COMPOUND
13(
S
)-HOTrE
KEGG COMPOUND
Manual Xrefs
Databases
C16316
KEGG COMPOUND
LMFA02000051
LIPID MAPS
T24
PDBeChem
View more database links
Registry Number
Type
Source
5336126
Reaxys Registry Number
Reaxys
Citation
Type
Source
18716621
PubMed citation
Europe PMC
Last Modified
14 January 2020