In-Silico Structure Database (LMISSD)
Common Name
PA(P-22:1(9Z)/18:4(9E,11E,13E,15E))
Systematic Name
1-(1Z,9Z-docosenyl)-2-(9E,11E,13E,15E-octadecatetraenoyl)-sn-glycero-3-phosphate
LM ID
LMGP10039A0K
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
734.525043
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphates [GP10]
1-(1Z-alkenyl),2-acylglycerophosphates [GP1003]
String Representations
InChiKey (Click to copy)
XRNJMAUKMFFEFF-OUPQTCTCSA-N
InChi (Click to copy)
InChI=1S/C43H75O7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-39-48-40-42(41-49-51(45,46)47)50-43(44)38-36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h6,8,10,12,14,16,18,22-24,37,39,42H,3-5,7,9,11,13,15,17,19-21,25-36,38,40-41H2,1-2H3,(H2,45,46,47)/b8-6+,12-10+,16-14+,23-22-,24-18+,39-37-/t42-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O)CO/C=C\CCCCCC/C=C\CCCCCCCCCCCC