In-Silico Structure Database (LMISSD)
Common Name
PC(P-22:0/26:2(5Z,9E))
Systematic Name
1-(1Z-docosenyl)-2-(5Z,9E-hexacosadienoyl)-sn-glycero-3-phosphocholine
LM ID
LMGP01039AWX
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
937.786342
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphocholines [GP01]
1-(1Z-alkenyl),2-acylglycerophosphocholines [GP0103]
String Representations
InChiKey (Click to copy)
WNZAGAPEMZARKU-MNBZJWLYSA-N
InChi (Click to copy)
InChI=1S/C56H108NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-29-30-31-33-35-37-39-41-43-45-47-49-56(58)64-55(54-63-65(59,60)62-52-50-57(3,4)5)53-61-51-48-46-44-42-40-38-36-34-32-27-25-23-21-19-17-15-13-11-9-7-2/h33,35,41,43,48,51,55H,6-32,34,36-40,42,44-47,49-50,52-54H2,1-5H3/b35-33+,43-41-,51-48-/t55-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCC/C=C\CC/C=C/CCCCCCCCCCCCCCCC)=O)CO/C=C\CCCCCCCCCCCCCCCCCCCC