In-Silico Structure Database (LMISSD)
Common Name
PA(23:0/18:4(6Z,9Z,12Z,15Z))
Systematic Name
1-tricosanoyl-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-sn-glycero-3-phosphate
LM ID
LMGP10019D5I
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)
YUBMKLLAPSDRSF-BBMKORQZSA-N
InChi (Click to copy)
InChI=1S/C44H79O8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-26-28-30-32-34-36-38-43(45)50-40-42(41-51-53(47,48)49)52-44(46)39-37-35-33-31-29-27-24-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,24,29,31,42H,3-5,7,9-11,13,15-17,19-23,25-28,30,32-41H2,1-2H3,(H2,47,48,49)/b8-6-,14-12-,24-18-,31-29-/t42-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCCCCCCCCCCCCCCCCC)=O