In-Silico Structure Database (LMISSD)
Common Name
PG(14:0/22:6(4Z,7Z,11E,13Z,16Z,19Z)(10OH))
Systematic Name
1-tetradecanoyl-2-(10-HDoHE)-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP20069AI1
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
782.473403
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoglycerols [GP2006]
String Representations
InChiKey (Click to copy)
PYEIDDUBMOOXTE-JFYDPNMWSA-N
InChi (Click to copy)
InChI=1S/C42H71O11P/c1-3-5-7-9-11-13-15-17-19-24-28-32-41(46)50-36-40(37-52-54(48,49)51-35-39(45)34-43)53-42(47)33-29-25-21-20-23-27-31-38(44)30-26-22-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,21-23,25-27,30,38-40,43-45H,3-5,7,9-11,13,15-17,19-20,24,28-29,31-37H2,1-2H3,(H,48,49)/b8-6-,14-12-,22-18-,25-21-,27-23-,30-26+/t38?,39-,40+/m0/s1
SMILES (Click to copy)
[H][C@](O)(CO)COP(OC[C@]([H])(OC(CC/C=C\C/C=C\CC(O)/C=C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCCCCCCCC)=O)(=O)O