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ChEBI
> Main
CHEBI:78653 - (
R
)-edelfosine
Main
ChEBI Ontology
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ChEBI Name
(
R
)-edelfosine
ChEBI ID
CHEBI:78653
ChEBI ASCII Name
(R)-edelfosine
Definition
A 1-octadecyl-2-methylglycero-3-phosphocholine that is the (
R
)-enantiomer of edelfosine.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C27H58NO6P
Net Charge
0
Average Mass
523.72630
Monoisotopic Mass
523.40018
InChI
InChI=1S/C27H58NO6P/c1-
6-
7-
8-
9-
10-
11-
12-
13-
14-
15-
16-
17-
18-
19-
20-
21-
23-
32-
25-
27(31-
5)
26-
34-
35(29,30)
33-
24-
22-
28(2,3)
4/h27H,6-
26H2,1-
5H3/t27-
/m1/s1
InChIKey
MHFRGQHAERHWKZ-HHHXNRCGSA-N
SMILES
CCCCCCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC
ChEBI Ontology
Outgoing
(
R
)-edelfosine (
CHEBI:78653
)
is a
1-octadecyl-2-methylglycero-3-phosphocholine (
CHEBI:78652
)
Incoming
edelfosine (
CHEBI:78649
)
has part
(
R
)-edelfosine (
CHEBI:78653
)
IUPAC Name
(2
R
)-2-methoxy-3-(octadecyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms
Sources
1-O-Octadecyl-2-O-methyl-sn-glycero-3-phosphocholine
LIPID MAPS
1-octadecyl-2-methyl-
sn
-glycero-3-phosphocholine
ChEBI
ET 18-OCH3
LIPID MAPS
PC(O-18:0/O-1:0)
LIPID MAPS
Manual Xref
Database
LMGP01040048
LIPID MAPS
View more database links
Registry Number
Type
Source
6376409
Reaxys Registry Number
Reaxys
Last Modified
30 May 2014