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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:72801 - 5-HEPE
Main
ChEBI Ontology
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ChEBI Name
5-HEPE
ChEBI ID
CHEBI:72801
Definition
A hydroxyicosapentaenoic acid that consists of 6
E
,8
Z
,11
Z
,14
Z
,17
Z
-icosapentaenoic acid with the hydroxy group located at position 5.
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-
6-
7-
8-
9-
10-
11-
12-
13-
14-
16-
19(21)
17-
15-
18-
20(22)
23/h3-
4,6-
7,9-
10,12-
14,16,19,21H,2,5,8,11,15,17-
18H2,1H3,(H,22,23)
/b4-
3-
,7-
6-
,10-
9-
,13-
12-
,16-
14+
InChIKey
FTAGQROYQYQRHF-FCWZHQICSA-N
SMILES
C(\CC)=C\C/C=C\C/C=C\C\C=C/C=C/C(CCCC(=O)O)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
HEPE
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
5-HEPE (
CHEBI:72801
)
has role
mouse metabolite (
CHEBI:75771
)
5-HEPE (
CHEBI:72801
)
is a
HEPE (
CHEBI:72799
)
5-HEPE (
CHEBI:72801
)
is conjugate acid of
5-HEPE(1−) (
CHEBI:90737
)
Incoming
5-HEPE(1−) (
CHEBI:90737
)
is conjugate base of
5-HEPE (
CHEBI:72801
)
IUPAC Name
(6
E
,8
Z
,11
Z
,14
Z
,17
Z
)-5-hydroxyicosa-6,8,11,14,17-pentaenoic acid
Synonyms
Sources
(±)-5-HEPE
LIPID MAPS
(±)-5-hydroxy-6
E
,8
Z
,11
Z
,14
Z
,17
Z
-eicosapentaenoic acid
LIPID MAPS
Manual Xrefs
Databases
HMDB0005081
HMDB
LMFA03070027
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
83952-40-3
CAS Registry Number
ChemIDplus
8641363
Reaxys Registry Number
Reaxys
Last Modified
20 January 2016