In-Silico Structure Database (LMISSD)
Common Name
PC(O-14:0/18:3(6Z,9Z,12Z))
Systematic Name
1-tetradecyl-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phosphocholine
LM ID
LMGP01029AA4
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
713.535942
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphocholines [GP01]
1-alkyl,2-acylglycerophosphocholines [GP0102]
String Representations
InChiKey (Click to copy)
HKDPXASDWBTEAB-UWAULJAOSA-N
InChi (Click to copy)
InChI=1S/C40H76NO7P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-40(42)48-39(38-47-49(43,44)46-36-34-41(3,4)5)37-45-35-32-30-28-26-24-19-17-15-13-11-9-7-2/h14,16,20-21,23,25,39H,6-13,15,17-19,22,24,26-38H2,1-5H3/b16-14-,21-20-,25-23-/t39-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)COCCCCCCCCCCCCCC