In-Silico Structure Database (LMISSD)
Common Name
PGP(O-14:0/22:5(4Z,7Z,10Z,13Z,16Z))
Systematic Name
1-tetradecyl-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05029ABU
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
834.481206
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
1-alkyl,2-acylglycerophosphoglycerophosphates [GP0502]
String Representations
InChiKey (Click to copy)
VLYPDVDMVCLJOA-KMWGJYPTSA-N
InChi (Click to copy)
InChI=1S/C42H76O12P2/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/h11,13,17-18,20-21,23-24,28,30,40-41,43H,3-10,12,14-16,19,22,25-27,29,31-39H2,1-2H3,(H,48,49)(H2,45,46,47)/b13-11-,18-17-,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=C\C/C=C\CCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)COCCCCCCCCCCCCCC