CHEBI:78653 - (R)-edelfosine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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.
Supplier Information
Download Molfile XML SDF
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
(2R)-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