In-Silico Structure Database (LMISSD)
Common Name
PGP(O-20:1(11Z)/20:3(8Z,11Z,14Z))
Systematic Name
1-(11Z-eicosenyl)-2-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05029AV8
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
892.559456
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
1-alkyl,2-acylglycerophosphoglycerophosphates [GP0502]
String Representations
InChiKey (Click to copy)
FXSPVSMHVJXTEE-XIPVJUFMSA-N
InChi (Click to copy)
InChI=1S/C46H86O12P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-54-42-45(43-57-60(52,53)56-41-44(47)40-55-59(49,50)51)58-46(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,24,26,44-45,47H,3-11,13,15-16,21-23,25,27-43H2,1-2H3,(H,52,53)(H2,49,50,51)/b14-12-,19-17-,20-18-,26-24-/t44-,45+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)COCCCCCCCCCC/C=C\CCCCCCCC