In-Silico Structure Database (LMISSD)
Common Name
PGP(O-20:1(11Z)/26:1(5Z))
Systematic Name
1-(11Z-eicosenyl)-2-(5Z-hexacosenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05029AWV
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
980.684656
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
1-alkyl,2-acylglycerophosphoglycerophosphates [GP0502]
String Representations
InChiKey (Click to copy)
HVUSHGXQSMRHFI-NWQMTSOPSA-N
InChi (Click to copy)
InChI=1S/C52H102O12P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-30-32-34-36-38-40-42-44-52(54)64-51(49-63-66(58,59)62-47-50(53)46-61-65(55,56)57)48-60-45-43-41-39-37-35-33-31-29-22-20-18-16-14-12-10-8-6-4-2/h18,20,36,38,50-51,53H,3-17,19,21-35,37,39-49H2,1-2H3,(H,58,59)(H2,55,56,57)/b20-18-,38-36-/t50-,51+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC/C=C\CCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)COCCCCCCCCCC/C=C\CCCCCCCC