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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:140934 - 5S-HEPE
Main
ChEBI Ontology
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ChEBI Name
5S-HEPE
ChEBI ID
CHEBI:140934
Stars
This entity has been manually annotated by a third party.
Supplier Information
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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+/t19-
/m1/s1
InChIKey
FTAGQROYQYQRHF-GHWNLOBHSA-N
SMILES
C(=C\C=C\[C@H](CCCC(O)=O)O)\C/C=C\C/C=C\C/C=C\CC
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):
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
5S-HEPE (
CHEBI:140934
)
is a
HEPE (
CHEBI:72799
)
5S-HEPE (
CHEBI:140934
)
is conjugate acid of
5(
S
)-HEPE(1−) (
CHEBI:195400
)
Incoming
5(
S
)-HEPE(1−) (
CHEBI:195400
)
is conjugate base of
5S-HEPE (
CHEBI:140934
)
Manual Xrefs
Databases
HMDB0062408
HMDB
LMFA03070010
LIPID MAPS
View more database links
Last Modified
04 June 2018