In-Silico Structure Database (LMISSD)
Common Name
PGP(P-20:1(9Z)/20:1(11Z))
Systematic Name
1-(1Z,9Z-eicosadienyl)-2-(11Z-eicosenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05039ATR
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
894.575106
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
1-(1Z-alkenyl),2-acylglycerophosphoglycerophosphates [GP0503]
String Representations
InChiKey (Click to copy)
PCCDVDGRRSAMSJ-ZMOHSNOLSA-N
InChi (Click to copy)
InChI=1S/C46H88O12P2/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/h18,20-21,23,37,39,44-45,47H,3-17,19,22,24-36,38,40-43H2,1-2H3,(H,52,53)(H2,49,50,51)/b20-18-,23-21-,39-37-/t44-,45+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCC/C=C\CCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)CO/C=C\CCCCCC/C=C\CCCCCCCCCC