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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:72795 - 12-
epi
-leukotriene B
4
Main
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ChEBI Name
12-
epi
-leukotriene B
4
ChEBI ID
CHEBI:72795
ChEBI ASCII Name
12-epi-leukotriene B4
Definition
A leukotriene that is the 12
S
-isomer of leukotriene B
4
.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C20H32O4
Net Charge
0
Average Mass
336.46570
Monoisotopic Mass
336.23006
InChI
InChI=1S/C20H32O4/c1-
2-
3-
4-
5-
6-
9-
13-
18(21)
14-
10-
7-
8-
11-
15-
19(22)
16-
12-
17-
20(23)
24/h6-
11,14-
15,18-
19,21-
22H,2-
5,12-
13,16-
17H2,1H3,(H,23,24)
/b8-
7+,9-
6-
,14-
10+,15-
11-
/t18-
,19+/m0/s1
InChIKey
VNYSSYRCGWBHLG-CBBLYLIKSA-N
SMILES
CCCCC\C=C/C[C@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(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):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
12-
epi
-leukotriene B
4
(
CHEBI:72795
)
has functional parent
icosa-6,8,10,14-tetraenoic acid (
CHEBI:36045
)
12-
epi
-leukotriene B
4
(
CHEBI:72795
)
has role
metabolite (
CHEBI:25212
)
12-
epi
-leukotriene B
4
(
CHEBI:72795
)
is a
dihydroxy monocarboxylic acid (
CHEBI:35972
)
12-
epi
-leukotriene B
4
(
CHEBI:72795
)
is a
hydroxy fatty acid (
CHEBI:24654
)
12-
epi
-leukotriene B
4
(
CHEBI:72795
)
is a
leukotriene (
CHEBI:25029
)
12-
epi
-leukotriene B
4
(
CHEBI:72795
)
is a
long-chain fatty acid (
CHEBI:15904
)
12-
epi
-leukotriene B
4
(
CHEBI:72795
)
is a
polyunsaturated fatty acid (
CHEBI:26208
)
IUPAC Name
(5
S
,6
Z
,8
E
,10
E
,12
S
,14
Z
)-
5,12-
dihydroxyicosa-
6,8,10,14-
tetraenoic acid
Synonyms
Sources
12(
S
)-Leukotriene B
4
HMDB
12-
epi
-LTB
4
LIPID MAPS
12
S
-LTB
4
ChEBI
5
S
,12
S
-dihydroxy-6
Z
,8
E
,10
E
,14
Z
-eicosatetraenoic acid
LIPID MAPS
Manual Xrefs
Databases
HMDB0005089
HMDB
LMFA03020015
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
4696045
Reaxys Registry Number
Reaxys
83709-73-3
CAS Registry Number
HMDB
Last Modified
13 October 2014