In-Silico Structure Database (LMISSD)
Common Name
PGP(17:1(9Z)/35:0)
Systematic Name
1-(9Z-heptadecenoyl)-2-pentatriacontanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05019A34
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1080.773471
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
Diacylglycerophosphoglycerophosphates [GP0501]
String Representations
InChiKey (Click to copy)
ZKWHATCOFXGBGF-IUQFFVEISA-N
InChi (Click to copy)
InChI=1S/C58H114O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-48-50-58(61)71-56(54-70-73(65,66)69-52-55(59)51-68-72(62,63)64)53-67-57(60)49-47-45-43-41-39-37-18-16-14-12-10-8-6-4-2/h16,18,55-56,59H,3-15,17,19-54H2,1-2H3,(H,65,66)(H2,62,63,64)/b18-16-/t55-,56+/m0/s1
SMILES (Click to copy)
[H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C\CCCCCCC)=O)(=O)O