In-Silico Structure Database (LMISSD)
Common Name
PGP(26:1(5Z)/36:0)
Systematic Name
1-(5Z-hexacosenoyl)-2-hexatriacontanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05019EKN
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1220.929971
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
Diacylglycerophosphoglycerophosphates [GP0501]
String Representations
InChiKey (Click to copy)
IGDZKILZOVEUPE-BPKPVCPISA-N
InChi (Click to copy)
InChI=1S/C68H134O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-48-50-52-54-56-58-60-68(71)81-66(64-80-83(75,76)79-62-65(69)61-78-82(72,73)74)63-77-67(70)59-57-55-53-51-49-47-45-43-41-39-37-26-24-22-20-18-16-14-12-10-8-6-4-2/h51,53,65-66,69H,3-50,52,54-64H2,1-2H3,(H,75,76)(H2,72,73,74)/b53-51-/t65-,66+/m0/s1
SMILES (Click to copy)
[H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCC/C=C\CCCCCCCCCCCCCCCCCCCC)=O)(=O)O