In-Silico Structure Database (LMISSD)
Common Name
PG(O-18:1(11Z)/18:3(6Z,9Z,12Z))
Systematic Name
1-(11Z-octadecenyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP04029AOY
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
756.530523
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerols [GP04]
1-alkyl,2-acylglycerophosphoglycerols [GP0402]
String Representations
InChiKey (Click to copy)
KXIVZHCEBRSMHU-VUQHGCDJSA-N
InChi (Click to copy)
InChI=1S/C42H77O9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-48-38-41(39-50-52(46,47)49-37-40(44)36-43)51-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12-15,18,20,24,26,40-41,43-44H,3-11,16-17,19,21-23,25,27-39H2,1-2H3,(H,46,47)/b14-12-,15-13-,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)CO)COCCCCCCCCCC/C=C\CCCCCC