In-Silico Structure Database (LMISSD)
Common Name
PA(18:2(6Z,9Z)/37:0)
Systematic Name
1-(6Z,9Z-octadecadienoyl)-2-heptatriacontanoyl-sn-glycero-3-phosphate
LM ID
LMGP10019BX5
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
966.801658
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphates [GP10]
Diacylglycerophosphates [GP1001]
String Representations
InChiKey (Click to copy)
AFPGUHMZRAIYKM-YNSLHMBLSA-N
InChi (Click to copy)
InChI=1S/C58H111O8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-47-49-51-53-58(60)66-56(55-65-67(61,62)63)54-64-57(59)52-50-48-46-44-42-40-38-18-16-14-12-10-8-6-4-2/h18,38,42,44,56H,3-17,19-37,39-41,43,45-55H2,1-2H3,(H2,61,62,63)/b38-18-,44-42-/t56-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCC/C=C\C/C=C\CCCCCCCC)=O