In-Silico Structure Database (LMISSD)
Common Name
PC(O-18:1(9Z)/20:4(7E,10E,13E,16E))
Systematic Name
1-(9Z-octadecenyl)-2-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycero-3-phosphocholine
LM ID
LMGP01029ARS
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
793.598542
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphocholines [GP01]
1-alkyl,2-acylglycerophosphocholines [GP0102]
String Representations
InChiKey (Click to copy)
YMYPXYVXKBSNNS-LXNVTVTPSA-N
InChi (Click to copy)
InChI=1S/C46H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h10,12,16,18,21-24,27,29,45H,6-9,11,13-15,17,19-20,25-26,28,30-44H2,1-5H3/b12-10+,18-16+,23-21-,24-22+,29-27+/t45-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O)COCCCCCCCC/C=C\CCCCCCCC