In-Silico Structure Database (LMISSD)
Common Name
PC(O-20:1(11Z)/39:0)
Systematic Name
1-(11Z-eicosenyl)-2-nonatriacontanoyl-sn-glycero-3-phosphocholine
LM ID
LMGP01029AXB
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1095.989792
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphocholines [GP01]
1-alkyl,2-acylglycerophosphocholines [GP0102]
String Representations
InChiKey (Click to copy)
KFIUTTPNGKQJFF-JFVRIHGRSA-N
InChi (Click to copy)
InChI=1S/C67H134NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-46-48-50-52-54-56-58-60-67(69)75-66(65-74-76(70,71)73-63-61-68(3,4)5)64-72-62-59-57-55-53-51-49-47-45-25-23-21-19-17-15-13-11-9-7-2/h21,23,66H,6-20,22,24-65H2,1-5H3/b23-21-/t66-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COCCCCCCCCCC/C=C\CCCCCCCC