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ChEBI
> Main
CHEBI:84798 - 1,2-di-(9
E
-hexadecenoyl)-
sn
-glycero-3-phosphocholine
Main
ChEBI Ontology
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ChEBI Name
1,2-di-(9
E
-hexadecenoyl)-
sn
-glycero-3-phosphocholine
ChEBI ID
CHEBI:84798
ChEBI ASCII Name
1,2-di-(9E-hexadecenoyl)-sn-glycero-3-phosphocholine
Definition
A phosphatidylcholine 32:2 in which the acyl group at both positions 1 and 2 is (9
E
)-hexadecenoyl respectively.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C40H76NO8P
Net Charge
0
Average Mass
730.00710
Monoisotopic Mass
729.53086
InChI
InChI=1S/C40H76NO8P/c1-
6-
8-
10-
12-
14-
16-
18-
20-
22-
24-
26-
28-
30-
32-
39(42)
46-
36-
38(37-
48-
50(44,45)
47-
35-
34-
41(3,4)
5)
49-
40(43)
33-
31-
29-
27-
25-
23-
21-
19-
17-
15-
13-
11-
9-
7-
2/h16-
19,38H,6-
15,20-
37H2,1-
5H3/b18-
16+,19-
17+/t38-
/m1/s1
InChIKey
GPWHCUUIQMGELX-SGZUMCNSSA-N
SMILES
CCCCCC\C=C\CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C\CCCCCC
Metabolite of Species
Details
Mus musculus
(NCBI:txid10090)
See:
MetaboLights Study
Roles Classification
Biological Role
(s):
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via
phosphatidylcholine 32:2
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
1,2-di-(9
E
-hexadecenoyl)-
sn
-glycero-3-phosphocholine (
CHEBI:84798
)
has role
mouse metabolite (
CHEBI:75771
)
1,2-di-(9
E
-hexadecenoyl)-
sn
-glycero-3-phosphocholine (
CHEBI:84798
)
is a
phosphatidylcholine 32:2 (
CHEBI:66848
)
IUPAC Name
(2
R
)-2,3-bis[(9
E
)-hexadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
Synonyms
Sources
PC(16:1(9E)/16:1(9E))
LIPID MAPS
PC(16:1/16:1)
LIPID MAPS
Manual Xref
Database
LMGP01010682
LIPID MAPS
View more database links
Last Modified
13 February 2015