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ChEBI
> Main
CHEBI:77831 - 1-palmitoyl-2-propionyl-
sn
-glycero-3-phosphocholine
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ChEBI Name
1-palmitoyl-2-propionyl-
sn
-glycero-3-phosphocholine
ChEBI ID
CHEBI:77831
ChEBI ASCII Name
1-palmitoyl-2-propionyl-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 propionyl 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
C27H54NO8P
Net Charge
0
Average Mass
551.69330
Monoisotopic Mass
551.35870
InChI
InChI=1S/C27H54NO8P/c1-
6-
8-
9-
10-
11-
12-
13-
14-
15-
16-
17-
18-
19-
20-
27(30)
33-
23-
25(36-
26(29)
7-
2)
24-
35-
37(31,32)
34-
22-
21-
28(3,4)
5/h25H,6-
24H2,1-
5H3/t25-
/m1/s1
InChIKey
NYXYISVRSYAJDW-RUZDIDTESA-N
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC
ChEBI Ontology
Outgoing
1-palmitoyl-2-propionyl-
sn
-glycero-3-phosphocholine (
CHEBI:77831
)
has functional parent
hexadecanoic acid (
CHEBI:15756
)
1-palmitoyl-2-propionyl-
sn
-glycero-3-phosphocholine (
CHEBI:77831
)
has functional parent
propionic acid (
CHEBI:30768
)
1-palmitoyl-2-propionyl-
sn
-glycero-3-phosphocholine (
CHEBI:77831
)
is a
1,2-diacyl-
sn
-glycero-3-phosphocholine (
CHEBI:57643
)
IUPAC Name
(2
R
)-3-(hexadecanoyloxy)-2-(propionyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms
Sources
(2
R
)-3-(palmitoyloxy)-2-(propionyloxy)propyl 2-(trimethylammonio)ethyl phosphate
IUPAC
1-hexadecanoyl-2-propanoyl-
sn
-glycero-3-phosphocholine
ChEBI
1-hexadecanoyl-2-propionyl-
sn
-glycero-3-phosphocholine
UniProt
1-palmitoyl-2-propanoyl-
sn
-glycero-3-phosphocholine
ChEBI
PC(16:0/3:0)
LIPID MAPS
Manual Xref
Database
LMGP01010666
LIPID MAPS
View more database links
Registry Number
Type
Source
4041794
Reaxys Registry Number
Reaxys
Citation
Type
Source
2040620
PubMed citation
SUBMITTER
Last Modified
06 February 2015