In-Silico Structure Database (LMISSD)
Common Name
PC(P-18:1(9Z)/33:0)
Systematic Name
1-(1Z,9Z-octadecadienyl)-2-tritriacontanoyl-sn-glycero-3-phosphocholine
LM ID
LMGP01039ANX
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
981.848942
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphocholines [GP01]
1-(1Z-alkenyl),2-acylglycerophosphocholines [GP0103]
String Representations
InChiKey (Click to copy)
ONZWJLRQKHRLSU-FAYFBQGYSA-N
InChi (Click to copy)
InChI=1S/C59H116NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-59(61)67-58(57-66-68(62,63)65-55-53-60(3,4)5)56-64-54-51-49-47-45-43-41-39-23-21-19-17-15-13-11-9-7-2/h21,23,51,54,58H,6-20,22,24-50,52-53,55-57H2,1-5H3/b23-21-,54-51-/t58-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)CO/C=C\CCCCCC/C=C\CCCCCCCC