In-Silico Structure Database (LMISSD)
Common Name
PG(10:0/22:6(4Z,7Z,10Z,14E,16Z,19Z)(13OH))
Systematic Name
1-decanoyl-2-(13-HDoHE)-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP20069ABG
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
726.410803
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoglycerols [GP2006]
String Representations
InChiKey (Click to copy)
KPRMXHURDBRPCP-DBIRLHSESA-N
InChi (Click to copy)
InChI=1S/C38H63O11P/c1-3-5-7-9-14-18-22-26-34(40)27-23-19-16-12-11-13-17-21-25-29-38(43)49-36(33-48-50(44,45)47-31-35(41)30-39)32-46-37(42)28-24-20-15-10-8-6-4-2/h5,7,11-12,14,17-19,21-23,26,34-36,39-41H,3-4,6,8-10,13,15-16,20,24-25,27-33H2,1-2H3,(H,44,45)/b7-5-,12-11-,18-14-,21-17-,23-19-,26-22+/t34?,35-,36+/m0/s1
SMILES (Click to copy)
[H][C@](O)(CO)COP(OC[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\CC(O)/C=C/C=C\C/C=C\CC)=O)COC(CCCCCCCCC)=O)(=O)O