In-Silico Structure Database (LMISSD)
Common Name
PGP(P-18:0/33:0)
Systematic Name
1-(1Z-octadecenyl)-2-tritriacontanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05039AJB
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1052.778556
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
1-(1Z-alkenyl),2-acylglycerophosphoglycerophosphates [GP0503]
String Representations
InChiKey (Click to copy)
BKNYUXVVSJEMOD-LPEPNENYSA-N
InChi (Click to copy)
InChI=1S/C57H114O12P2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-37-39-41-43-45-47-49-57(59)69-56(54-68-71(63,64)67-52-55(58)51-66-70(60,61)62)53-65-50-48-46-44-42-40-38-36-20-18-16-14-12-10-8-6-4-2/h48,50,55-56,58H,3-47,49,51-54H2,1-2H3,(H,63,64)(H2,60,61,62)/b50-48-/t55-,56+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)CO/C=C\CCCCCCCCCCCCCCCC