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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:137872 - PE(P-18:0/20:4(5
Z
,8
Z
,10
E
,14
Z
)(12OH[
S
]))
Main
ChEBI Ontology
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ChEBI Name
PE(P-18:0/20:4(5
Z
,8
Z
,10
E
,14
Z
)(12OH[
S
]))
ChEBI ID
CHEBI:137872
ChEBI ASCII Name
PE(P-18:0/20:4(5Z,8Z,10E,14Z)(12OH[S]))
Stars
This entity has been manually annotated by a third party.
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Formula
C43H78NO8P
Net Charge
0
Average Mass
768.057
Monoisotopic Mass
767.54651
InChI
InChI=1S/C43H78NO8P/c1-
3-
5-
7-
9-
11-
12-
13-
14-
15-
16-
17-
18-
21-
24-
28-
32-
37-
49-
39-
42(40-
51-
53(47,48)
50-
38-
36-
44)
52-
43(46)
35-
31-
27-
23-
20-
19-
22-
26-
30-
34-
41(45)
33-
29-
25-
10-
8-
6-
4-
2/h20,22-
23,25-
26,29-
30,32,34,37,41-
42,45H,3-
19,21,24,27-
28,31,33,35-
36,38-
40,44H2,1-
2H3,(H,47,48)
/b23-
20-
,26-
22-
,29-
25-
,34-
30+,37-
32-
/t41-
,42+/m0/s1
InChIKey
MGODIQYTYGWFSP-RAMILIGYSA-N
SMILES
[C@](CO/C=C\CCCCCCCCCCCCCCCC)(OC(=O)CCC/C=C\C\C=C/C=C/[C@H](C/C=C\CCCCC)O)([H])COP(OCCN)(O)=O
ChEBI Ontology
Outgoing
PE(P-18:0/20:4(5
Z
,8
Z
,10
E
,14
Z
)(12OH[
S
])) (
CHEBI:137872
)
is a
1-(alk-1-enyl)-2-acyl-
sn
-glycero-3-phosphoethanolamine (
CHEBI:17476
)
PE(P-18:0/20:4(5
Z
,8
Z
,10
E
,14
Z
)(12OH[
S
])) (
CHEBI:137872
)
is a
oxidized glycerophosphoethanolamine (
CHEBI:138545
)
Synonym
Source
1-
O
-
(1
Z
-
octadecenyl)-
2-
(12
S
-
hydroxy-
5
Z
,8
Z
,10
E
,14
Z
-
eicosatetraenoyl)-
sn
-
glycero-
3-
phosphoethanolamine
LIPID MAPS
Manual Xref
Database
LMGP20020007
LIPID MAPS
View more database links
Last Modified
28 September 2017