In-Silico Structure Database (LMISSD)
Common Name
PG(16:0/20:4(5Z,9E,11Z,14Z)(8OH[S]))
Systematic Name
1-hexadecanoyl-2-(8S-HETE)-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP20069AQC
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
786.504703
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoglycerols [GP2006]
String Representations
InChiKey (Click to copy)
CIVVCNKKIJZBSH-IWFOPBJRSA-N
InChi (Click to copy)
InChI=1S/C42H75O11P/c1-3-5-7-9-11-13-15-16-17-19-21-23-28-32-41(46)50-36-40(37-52-54(48,49)51-35-39(45)34-43)53-42(47)33-29-25-24-27-31-38(44)30-26-22-20-18-14-12-10-8-6-4-2/h12,14,20,22,24,26-27,30,38-40,43-45H,3-11,13,15-19,21,23,25,28-29,31-37H2,1-2H3,(H,48,49)/b14-12-,22-20-,27-24-,30-26+/t38-,39+,40-/m1/s1
SMILES (Click to copy)
[H][C@](O)(CO)COP(OC[C@]([H])(OC(CCC/C=C\C[C@H](O)/C=C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)(=O)O