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ChEBI
> Main
CHEBI:134513 - 20-oxoleukotriene E
4
Main
ChEBI Ontology
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ChEBI Name
20-oxoleukotriene E
4
ChEBI ID
CHEBI:134513
ChEBI ASCII Name
20-oxoleukotriene E4
Definition
A leukotriene that is leukotriene E
4
in which the terminal methyl grop has been oxidised to the corresponding aldehyde
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C23H35NO6S
Net Charge
0
Average Mass
453.594
Monoisotopic Mass
453.21851
InChI
InChI=1S/C23H35NO6S/c24-
19(23(29)
30)
18-
31-
21(20(26)
14-
13-
16-
22(27)
28)
15-
11-
9-
7-
5-
3-
1-
2-
4-
6-
8-
10-
12-
17-
25/h2-
5,7,9,11,15,17,19-
21,26H,1,6,8,10,12-
14,16,18,24H2,(H,27,28)
(H,29,30)
/b4-
2-
,5-
3-
,9-
7+,15-
11+/t19-
,20-
,21+/m0/s1
InChIKey
DXFWBOQUFGDWDP-CMJQBAFXSA-N
SMILES
C(/C=C\CCCCC(=O)[H])\C=C/C=C/C=C/[C@H]([C@@H](O)CCCC(=O)O)SC[C@H](N)C(=O)O
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
20-oxoleukotriene E
4
(
CHEBI:134513
)
has functional parent
leukotriene E
4
(
CHEBI:15650
)
20-oxoleukotriene E
4
(
CHEBI:134513
)
is a
L
-cysteine thioether (
CHEBI:27532
)
20-oxoleukotriene E
4
(
CHEBI:134513
)
is a
aldehyde (
CHEBI:17478
)
20-oxoleukotriene E
4
(
CHEBI:134513
)
is a
amino dicarboxylic acid (
CHEBI:36164
)
20-oxoleukotriene E
4
(
CHEBI:134513
)
is a
leukotriene (
CHEBI:25029
)
20-oxoleukotriene E
4
(
CHEBI:134513
)
is a
non-proteinogenic
L
-α-amino acid (
CHEBI:83822
)
20-oxoleukotriene E
4
(
CHEBI:134513
)
is a
secondary alcohol (
CHEBI:35681
)
20-oxoleukotriene E
4
(
CHEBI:134513
)
is conjugate acid of
20-oxoleukotriene E
4
(1−) (
CHEBI:133433
)
Incoming
20-oxoleukotriene E
4
(1−) (
CHEBI:133433
)
is conjugate base of
20-oxoleukotriene E
4
(
CHEBI:134513
)
IUPAC Name
(5
S
,6
R
,7
E
,9
E
,11
Z
,14
Z
)-
6-
{[(2
R
)-
2-
amino-
2-
carboxyethyl]sulfanyl}-
5-
hydroxy-
20-
oxoicosa-
7,9,11,14-
tetraenoic acid
Synonyms
Sources
20-Oxo-leukotriene E4
HMDB
20-oxo-LTE
4
ChEBI
6-(S-Cysteinyl)-20-oxo-(5S)-hydroxy-(7E,9E,11Z,14Z)-eicosatetraenoic acid
HMDB
Manual Xref
Database
HMDB0012642
HMDB
View more database links
Last Modified
13 February 2017