In-Silico Structure Database (LMISSD)
Common Name
PGP(O-14:0/22:6(4Z,7Z,10Z,12E,16Z,19Z))
Systematic Name
1-tetradecyl-2-(4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05029ABW
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
832.465556
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
1-alkyl,2-acylglycerophosphoglycerophosphates [GP0502]
String Representations
InChiKey (Click to copy)
AKQNHDIHKZCYMU-ACQCHAKGSA-N
InChi (Click to copy)
InChI=1S/C42H74O12P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-42(44)54-41(39-53-56(48,49)52-37-40(43)36-51-55(45,46)47)38-50-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h5,7,11,13,18-21,23-24,28,30,40-41,43H,3-4,6,8-10,12,14-17,22,25-27,29,31-39H2,1-2H3,(H,48,49)(H2,45,46,47)/b7-5-,13-11-,19-18+,21-20-,24-23-,30-28-/t40-,41+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C=C\CC/C=C\C/C=C\CC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)COCCCCCCCCCCCCCC