In-Silico Structure Database (LMISSD)
Common Name
PA(15:0/8:1(6E)(5OH,8Ke))
Systematic Name
1-pentadecanoyl-2-(5-hydroxy-8-oxo-6E-octenoyl)-sn-glycero-3-phosphate
LM ID
LMGP20079AND
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
550.290688
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphates [GP2007]
String Representations
InChiKey (Click to copy)
JARJYOXYWUGESC-NPGSRXEESA-N
InChi (Click to copy)
InChI=1S/C26H47O10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-25(29)34-21-24(22-35-37(31,32)33)36-26(30)19-14-16-23(28)17-15-20-27/h15,17,20,23-24,28H,2-14,16,18-19,21-22H2,1H3,(H2,31,32,33)/b17-15+/t23?,24-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCCC(O)/C=C/C=O)=O)COC(CCCCCCCCCCCCCC)=O