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ChEBI
> Main
CHEBI:72802 - 18-HEPE
Main
ChEBI Ontology
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ChEBI Name
18-HEPE
ChEBI ID
CHEBI:72802
Definition
A hydroxyicosapentaenoic acid that consists of 5
Z
,8
Z
,11
Z
,14
Z
,16
E
-icosapentaenoic acid with the hydroxy group located at position 18.
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-
19(21)
17-
15-
13-
11-
9-
7-
5-
3-
4-
6-
8-
10-
12-
14-
16-
18-
20(22)
23/h4-
7,10-
13,15,17,19,21H,2-
3,8-
9,14,16,18H2,1H3,(H,22,23)
/b6-
4-
,7-
5-
,12-
10-
,13-
11-
,17-
15+
InChIKey
LRWYBGFSVUBWMO-UXNZXXPISA-N
SMILES
C(CC)(/C=C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)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):
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
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
18-HEPE (
CHEBI:72802
)
has role
human xenobiotic metabolite (
CHEBI:76967
)
18-HEPE (
CHEBI:72802
)
is a
HEPE (
CHEBI:72799
)
18-HEPE (
CHEBI:72802
)
is conjugate acid of
18-HEPE(1−) (
CHEBI:90825
)
Incoming
18(
R
)-HEPE (
CHEBI:81563
)
is a
18-HEPE (
CHEBI:72802
)
18(
S
)-HEPE (
CHEBI:132801
)
is a
18-HEPE (
CHEBI:72802
)
18-HEPE(1−) (
CHEBI:90825
)
is conjugate base of
18-HEPE (
CHEBI:72802
)
IUPAC Name
(5
Z
,8
Z
,11
Z
,14
Z
,16
E
)-18-hydroxyicosa-5,8,11,14,16-pentaenoic acid
Synonyms
Sources
(±)-18-HEPE
LIPID MAPS
(±)-18-hydroxy-5
Z
,8
Z
,11
Z
,14
Z
,16
E
-eicosapentaenoic acid
LIPID MAPS
Manual Xref
Database
LMFA03070033
LIPID MAPS
View more database links
Registry Number
Type
Source
14339377
Reaxys Registry Number
Reaxys
Last Modified
22 July 2016