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Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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ChEBI
> Main
CHEBI:137307 - PE(18:3(6
Z
,9
Z
,12
Z
)/24:1(15
Z
))
Main
ChEBI Ontology
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ChEBI Name
PE(18:3(6
Z
,9
Z
,12
Z
)/24:1(15
Z
))
ChEBI ID
CHEBI:137307
ChEBI ASCII Name
PE(18:3(6Z,9Z,12Z)/24:1(15Z))
Stars
This entity has been manually annotated by a third party.
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Formula
C47H86NO8P
Net Charge
0
Average Mass
824.163
Monoisotopic Mass
823.60911
InChI
InChI=1S/C47H86NO8P/c1-
3-
5-
7-
9-
11-
13-
15-
17-
19-
20-
21-
22-
23-
24-
26-
28-
30-
32-
34-
36-
38-
40-
47(50)
56-
45(44-
55-
57(51,52)
54-
42-
41-
48)
43-
53-
46(49)
39-
37-
35-
33-
31-
29-
27-
25-
18-
16-
14-
12-
10-
8-
6-
4-
2/h12,14,17-
19,25,29,31,45H,3-
11,13,15-
16,20-
24,26-
28,30,32-
44,48H2,1-
2H3,(H,51,52)
/b14-
12-
,19-
17-
,25-
18-
,31-
29-
/t45-
/m1/s1
InChIKey
TXHMNLOYTLTKSL-VQUPJGPGSA-N
SMILES
[C@](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)(OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)([H])COP(OCCN)(O)=O
ChEBI Ontology
Outgoing
PE(18:3(6
Z
,9
Z
,12
Z
)/24:1(15
Z
)) (
CHEBI:137307
)
is a
phosphatidylethanolamine 42:4 zwitterion (
CHEBI:71751
)
Synonym
Source
1-
(6
Z
,9
Z
,12
Z
-
octadecatrienoyl)-
2-
(15
Z
-
tetracosenoyl)-
glycero-
3-
phosphoethanolamine
ChEBI
Manual Xref
Database
HMDB0009146
HMDB
View more database links
Last Modified
05 June 2017