In-Silico Structure Database (LMISSD)
Common Name
PC(O-20:1(11Z)/29:0)
Systematic Name
1-(11Z-eicosenyl)-2-nonacosanoyl-sn-glycero-3-phosphocholine
LM ID
LMGP01029AW1
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
955.833292
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphocholines [GP01]
1-alkyl,2-acylglycerophosphocholines [GP0102]
String Representations
InChiKey (Click to copy)
JUAQITQBUMYKMB-FTVMHUQKSA-N
InChi (Click to copy)
InChI=1S/C57H114NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-27-28-29-30-31-32-33-34-36-38-40-42-44-46-48-50-57(59)65-56(55-64-66(60,61)63-53-51-58(3,4)5)54-62-52-49-47-45-43-41-39-37-35-25-23-21-19-17-15-13-11-9-7-2/h21,23,56H,6-20,22,24-55H2,1-5H3/b23-21-/t56-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COCCCCCCCCCC/C=C\CCCCCCCC