In-Silico Structure Database (LMISSD)
Common Name
PA(O-18:0/18:4(9E,11E,13E,15E))
Systematic Name
1-octadecyl-2-(9E,11E,13E,15E-octadecatetraenoyl)-sn-glycero-3-phosphate
LM ID
LMGP10029AMQ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
682.493743
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphates [GP10]
1-alkyl,2-acylglycerophosphates [GP1002]
String Representations
InChiKey (Click to copy)
GPCNCSWBPFQSCW-RZPCNKISSA-N
InChi (Click to copy)
InChI=1S/C39H71O7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-44-36-38(37-45-47(41,42)43)46-39(40)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,10,12,14,16,18,20,38H,3-5,7,9,11,13,15,17,19,21-37H2,1-2H3,(H2,41,42,43)/b8-6+,12-10+,16-14+,20-18+/t38-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O)COCCCCCCCCCCCCCCCCCC