In-Silico Structure Database (LMISSD)
Common Name
PGP(17:1(9Z)/29:0)
Systematic Name
1-(9Z-heptadecenoyl)-2-nonacosanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05019A3Y
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
996.679571
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
Diacylglycerophosphoglycerophosphates [GP0501]
String Representations
InChiKey (Click to copy)
LUWVFESMWHWBHU-QQLARKSISA-N
InChi (Click to copy)
InChI=1S/C52H102O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-52(55)65-50(48-64-67(59,60)63-46-49(53)45-62-66(56,57)58)47-61-51(54)43-41-39-37-35-33-31-18-16-14-12-10-8-6-4-2/h16,18,49-50,53H,3-15,17,19-48H2,1-2H3,(H,59,60)(H2,56,57,58)/b18-16-/t49-,50+/m0/s1
SMILES (Click to copy)
[H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C\CCCCCCC)=O)(=O)O