In-Silico Structure Database (LMISSD)
Common Name
PGP(P-16:1(9Z)/20:2(11Z,14Z))
Systematic Name
1-(1Z,9Z-hexadecadienyl)-2-(11Z,14Z-eicosadienoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05039AF0
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
836.496856
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
1-(1Z-alkenyl),2-acylglycerophosphoglycerophosphates [GP0503]
String Representations
InChiKey (Click to copy)
RZYYZSGYFWGZCD-PAPJQTSMSA-N
InChi (Click to copy)
InChI=1S/C42H78O12P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-42(44)54-41(39-53-56(48,49)52-37-40(43)36-51-55(45,46)47)38-50-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,33,35,40-41,43H,3-10,12,15,18,20-32,34,36-39H2,1-2H3,(H,48,49)(H2,45,46,47)/b13-11-,16-14-,19-17-,35-33-/t40-,41+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCC/C=C\C/C=C\CCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)CO/C=C\CCCCCC/C=C\CCCCCC