In-Silico Structure Database (LMISSD)
Common Name
PC(P-20:1(9Z)/18:2(9Z,11Z))
Systematic Name
1-(1Z,9Z-eicosadienyl)-2-(9Z,11Z-octadecadienoyl)-sn-glycero-3-phosphocholine
LM ID
LMGP01039ATI
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
795.614192
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphocholines [GP01]
1-(1Z-alkenyl),2-acylglycerophosphocholines [GP0103]
String Representations
InChiKey (Click to copy)
QYDCXYXMKYWKPQ-IYWNFESASA-N
InChi (Click to copy)
InChI=1S/C46H86NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-26-28-30-32-34-36-38-41-51-43-45(44-53-55(49,50)52-42-40-47(3,4)5)54-46(48)39-37-35-33-31-29-27-25-21-19-17-15-13-11-9-7-2/h17,19,21,23-25,38,41,45H,6-16,18,20,22,26-37,39-40,42-44H2,1-5H3/b19-17-,24-23-,25-21-,41-38-/t45-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCC/C=C\C=C/CCCCCC)=O)CO/C=C\CCCCCC/C=C\CCCCCCCCCC