In-Silico Structure Database (LMISSD)
Common Name
PGP(O-20:1(11Z)/18:2(2E,4E))
Systematic Name
1-(11Z-eicosenyl)-2-(2E,4E-octadecadienoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05029AVP
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
866.543806
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
1-alkyl,2-acylglycerophosphoglycerophosphates [GP0502]
String Representations
InChiKey (Click to copy)
BJHTVSSIDUNGTF-CKTYPUKASA-N
InChi (Click to copy)
InChI=1S/C44H84O12P2/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-52-40-43(41-55-58(50,51)54-39-42(45)38-53-57(47,48)49)56-44(46)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h17,19,30,32,34,36,42-43,45H,3-16,18,20-29,31,33,35,37-41H2,1-2H3,(H,50,51)(H2,47,48,49)/b19-17-,32-30+,36-34+/t42-,43+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(/C=C/C=C/CCCCCCCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)COCCCCCCCCCC/C=C\CCCCCCCC