In-Silico Structure Database (LMISSD)
Common Name
PA(10:0/22:6(4Z,7Z,9E,13Z,16Z,19Z)(11OH))
Systematic Name
1-decanoyl-2-(11-HDoHE)-sn-glycero-3-phosphate
LM ID
LMGP20079ABI
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
652.374023
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphates [GP2007]
String Representations
InChiKey (Click to copy)
FOYZVTUDAXJWIT-UCIAFAPESA-N
InChi (Click to copy)
InChI=1S/C35H57O9P/c1-3-5-7-9-11-12-15-18-22-26-32(36)27-23-19-16-13-17-21-25-29-35(38)44-33(31-43-45(39,40)41)30-42-34(37)28-24-20-14-10-8-6-4-2/h5,7,11-12,16-19,21-23,27,32-33,36H,3-4,6,8-10,13-15,20,24-26,28-31H2,1-2H3,(H2,39,40,41)/b7-5-,12-11-,19-16-,21-17-,22-18-,27-23+/t32?,33-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CC/C=C\C/C=C\C=C\C(O)C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCCCC)=O