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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:88345 - 12(
S
)-HEPE
Main
ChEBI Ontology
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ChEBI Name
12(
S
)-HEPE
ChEBI ID
CHEBI:88345
ChEBI ASCII Name
12(S)-HEPE
Definition
A 12-HEPE that consists of (5
Z
,8
Z
,10
E
,14
Z
,17
Z
)-icosapentaenoic acid in which the 12-hydroxy group has
S
-configuration.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Molfile
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Molfile
Formula
C20H30O3
Net Charge
0
Average Mass
318.451
Monoisotopic Mass
318.21949
InChI
InChI=1S/C20H30O3/c1-
2-
3-
4-
5-
10-
13-
16-
19(21)
17-
14-
11-
8-
6-
7-
9-
12-
15-
18-
20(22)
23/h3-
4,7-
11,13-
14,17,19,21H,2,5-
6,12,15-
16,18H2,1H3,(H,22,23)
/b4-
3-
,9-
7-
,11-
8-
,13-
10-
,17-
14+/t19-
/m0/s1
InChIKey
MCRJLMXYVFDXLS-UOLHMMFFSA-N
SMILES
C(\CC)=C\C/C=C\C[C@@H](/C=C/C=C\C/C=C\CCCC(=O)O)O
Metabolite of Species
Details
Mus musculus
(NCBI:txid10090)
See:
MetaboLights Study
Rattus norvegicus
(NCBI:txid10116)
See:
PubMed
Homo sapiens
(NCBI:txid9606)
See:
MetaboLights Study
Homo sapiens
(NCBI:txid9606)
See:
PubMed
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):
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
(via
12-HEPE
)
rat metabolite
Any mammalian metabolite produced during a metabolic reaction in rat (
Rattus norvegicus
).
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via
HEPE
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
12(
S
)-HEPE (
CHEBI:88345
)
has role
human xenobiotic metabolite (
CHEBI:76967
)
12(
S
)-HEPE (
CHEBI:88345
)
has role
mouse metabolite (
CHEBI:75771
)
12(
S
)-HEPE (
CHEBI:88345
)
has role
rat metabolite (
CHEBI:86264
)
12(
S
)-HEPE (
CHEBI:88345
)
is a
12-HEPE (
CHEBI:72645
)
12(
S
)-HEPE (
CHEBI:88345
)
is conjugate acid of
12(
S
)-HEPE(1−) (
CHEBI:195401
)
Incoming
12(
S
)-HEPE(1−) (
CHEBI:195401
)
is conjugate base of
12(
S
)-HEPE (
CHEBI:88345
)
IUPAC Name
(5
Z
,8
Z
,10
E
,12
S
,14
Z
,17
Z
)-
12-
hydroxyicosa-
5,8,10,14,17-
pentaenoic acid
Synonyms
Sources
12S-HEPE
LIPID MAPS
12S-hydroxy-5Z,8Z,10E,14Z,17Z-eicosapentaenoic acid
LIPID MAPS
Manual Xrefs
Databases
LMFA03070008
LIPID MAPS
US4810424
Patent
View more database links
Registry Numbers
Types
Sources
116180-17-7
CAS Registry Number
ChemIDplus
4454773
Reaxys Registry Number
Reaxys
Citations
Types
Sources
2116491
PubMed citation
Europe PMC
23956430
PubMed citation
Europe PMC
24505438
PubMed citation
Europe PMC
24814225
PubMed citation
Europe PMC
26115647
PubMed citation
Europe PMC
Last Modified
07 June 2016