In-Silico Structure Database (LMISSD)
Common Name
PA(18:4(9E,11E,13E,15E)/23:0)
Systematic Name
1-(9E,11E,13E,15E-octadecatetraenoyl)-2-tricosanoyl-sn-glycero-3-phosphate
LM ID
LMGP10019CF1
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
766.551258
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphates [GP10]
Diacylglycerophosphates [GP1001]
String Representations
InChiKey (Click to copy)
YTJYFGWGSUFFDK-GHKIZNLWSA-N
InChi (Click to copy)
InChI=1S/C44H79O8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-39-44(46)52-42(41-51-53(47,48)49)40-50-43(45)38-36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h6,8,10,12,14,16,18,24,42H,3-5,7,9,11,13,15,17,19-23,25-41H2,1-2H3,(H2,47,48,49)/b8-6+,12-10+,16-14+,24-18+/t42-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O