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ChEBI
> Main
CHEBI:77832 - 1-palmitoyl-2-butanoyl-
sn
-glycero-3-phosphocholine
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ChEBI Ontology
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ChEBI Name
1-palmitoyl-2-butanoyl-
sn
-glycero-3-phosphocholine
ChEBI ID
CHEBI:77832
ChEBI ASCII Name
1-palmitoyl-2-butanoyl-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 butanoyl 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
C28H56NO8P
Net Charge
0
Average Mass
565.71990
Monoisotopic Mass
565.37435
InChI
InChI=1S/C28H56NO8P/c1-
6-
8-
9-
10-
11-
12-
13-
14-
15-
16-
17-
18-
19-
21-
27(30)
34-
24-
26(37-
28(31)
20-
7-
2)
25-
36-
38(32,33)
35-
23-
22-
29(3,4)
5/h26H,6-
25H2,1-
5H3/t26-
/m1/s1
InChIKey
FFLOXQLYEUNLJS-AREMUKBSSA-N
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC
ChEBI Ontology
Outgoing
1-palmitoyl-2-butanoyl-
sn
-glycero-3-phosphocholine (
CHEBI:77832
)
has functional parent
butyric acid (
CHEBI:30772
)
1-palmitoyl-2-butanoyl-
sn
-glycero-3-phosphocholine (
CHEBI:77832
)
has functional parent
hexadecanoic acid (
CHEBI:15756
)
1-palmitoyl-2-butanoyl-
sn
-glycero-3-phosphocholine (
CHEBI:77832
)
is a
1,2-diacyl-
sn
-glycero-3-phosphocholine (
CHEBI:57643
)
IUPAC Name
(2
R
)-2-(butyryloxy)-3-(hexadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms
Sources
(2
R
)-2-(butyryloxy)-3-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphate
IUPAC
1-hexadecanoyl-2-butanoyl-
sn
-glycero-3-phosphocholine
UniProt
1-hexadecanoyl-2-butyryl-sn-glycero-3-phosphocholine
LIPID MAPS
1-palmitoyl-2-butyryl-
sn
-glycero-3-phosphocholine
LIPID MAPS
Registry Number
Type
Source
4043490
Reaxys Registry Number
Reaxys
Citation
Type
Source
2040620
PubMed citation
SUBMITTER
Last Modified
26 August 2015