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ChEBI
> Main
CHEBI:77833 - 1-palmitoyl-2-valeroyl-
sn
-glycero-3-phosphocholine
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ChEBI Ontology
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ChEBI Name
1-palmitoyl-2-valeroyl-
sn
-glycero-3-phosphocholine
ChEBI ID
CHEBI:77833
ChEBI ASCII Name
1-palmitoyl-2-valeroyl-sn-glycero-3-phosphocholine
Definition
A 1,2-diacyl-
sn
-glycero-3-phosphocholine in which the two acyl substituents at positions 1 and 2 are specified as palmitoyl and valeroyl respectively.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Nevila Nouspikel
Supplier Information
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Molfile
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Molfile
Formula
C29H58NO8P
Net Charge
0
Average Mass
579.74650
Monoisotopic Mass
579.39000
InChI
InChI=1S/C29H58NO8P/c1-
6-
8-
10-
11-
12-
13-
14-
15-
16-
17-
18-
19-
20-
22-
28(31)
35-
25-
27(38-
29(32)
21-
9-
7-
2)
26-
37-
39(33,34)
36-
24-
23-
30(3,4)
5/h27H,6-
26H2,1-
5H3/t27-
/m1/s1
InChIKey
GJOJUVBYCFSGJT-HHHXNRCGSA-N
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC
ChEBI Ontology
Outgoing
1-palmitoyl-2-valeroyl-
sn
-glycero-3-phosphocholine (
CHEBI:77833
)
has functional parent
hexadecanoic acid (
CHEBI:15756
)
1-palmitoyl-2-valeroyl-
sn
-glycero-3-phosphocholine (
CHEBI:77833
)
has functional parent
valeric acid (
CHEBI:17418
)
1-palmitoyl-2-valeroyl-
sn
-glycero-3-phosphocholine (
CHEBI:77833
)
is a
1,2-diacyl-
sn
-glycero-3-phosphocholine (
CHEBI:57643
)
IUPAC Name
(2
R
)-3-(hexadecanoyloxy)-2-(pentanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms
Sources
(2
R
)-3-(palmitoyloxy)-2-(pentanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate
IUPAC
1-hexadecanoyl-2-pentanoyl-
sn
-glycero-3-phosphocholine
UniProt
PC(16:0/5:0)
LIPID MAPS
Manual Xref
Database
LMGP01010672
LIPID MAPS
View more database links
Registry Number
Type
Source
4045295
Reaxys Registry Number
Reaxys
Citation
Type
Source
2040620
PubMed citation
SUBMITTER
Last Modified
06 February 2015