In-Silico Structure Database (LMISSD)
Common Name
PC(O-14:0/20:2(5Z,8Z))
Systematic Name
1-tetradecyl-2-(5Z,8Z-eicosadienoyl)-sn-glycero-3-phosphocholine
LM ID
LMGP01029ABF
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
743.582892
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphocholines [GP01]
1-alkyl,2-acylglycerophosphocholines [GP0102]
String Representations
InChiKey (Click to copy)
CBTXEUNIZZPTMD-XJIFNFRWSA-N
InChi (Click to copy)
InChI=1S/C42H82NO7P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-42(44)50-41(40-49-51(45,46)48-38-36-43(3,4)5)39-47-37-34-32-30-28-26-19-17-15-13-11-9-7-2/h23-24,27,29,41H,6-22,25-26,28,30-40H2,1-5H3/b24-23-,29-27-/t41-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCC/C=C\C/C=C\CCCCCCCCCCC)=O)COCCCCCCCCCCCCCC