In-Silico Structure Database (LMISSD)
Common Name
PGP(O-18:1(9Z)/18:3(6Z,9Z,12Z))
Systematic Name
1-(9Z-octadecenyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05029AQ9
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-alkyl,2-acylglycerophosphoglycerophosphates [GP0502]
String Representations
InChiKey (Click to copy)
LORDLPCZZLWVCZ-UCHAIHKSSA-N
InChi (Click to copy)
InChI=1S/C42H78O12P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-50-38-41(39-53-56(48,49)52-37-40(43)36-51-55(45,46)47)54-42(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,24,26,40-41,43H,3-11,13,15-16,21-23,25,27-39H2,1-2H3,(H,48,49)(H2,45,46,47)/b14-12-,19-17-,20-18-,26-24-/t40-,41+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)COCCCCCCCC/C=C\CCCCCCCC