In-Silico Structure Database (LMISSD)
Common Name
PGP(39:0/38:0)
Systematic Name
1-nonatriacontanoyl-2-octatriacontanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05019FLL
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1433.180371
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
Diacylglycerophosphoglycerophosphates [GP0501]
String Representations
InChiKey (Click to copy)
OIANAAUZICNJFK-KODUXOCSSA-N
InChi (Click to copy)
InChI=1S/C83H166O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-42-44-46-48-50-52-54-56-58-60-62-64-66-68-70-72-74-82(85)92-78-81(79-95-98(90,91)94-77-80(84)76-93-97(87,88)89)96-83(86)75-73-71-69-67-65-63-61-59-57-55-53-51-49-47-45-43-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h80-81,84H,3-79H2,1-2H3,(H,90,91)(H2,87,88,89)/t80-,81+/m0/s1
SMILES (Click to copy)
[H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(=O)O