In-Silico Structure Database (LMISSD)
Common Name
PA(15:0/7:1(5E)(4OH,7Ke))
Systematic Name
1-pentadecanoyl-2-(4-hydroxy-7-oxo-5E-heptenoyl)-sn-glycero-3-phosphate
LM ID
LMGP20079AM7
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
536.275038
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphates [GP2007]
String Representations
InChiKey (Click to copy)
OZLUEVCCFCADQD-QWUXUNQVSA-N
InChi (Click to copy)
InChI=1S/C25H45O10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-24(28)33-20-23(21-34-36(30,31)32)35-25(29)18-17-22(27)15-14-19-26/h14-15,19,22-23,27H,2-13,16-18,20-21H2,1H3,(H2,30,31,32)/b15-14+/t22?,23-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCC(O)/C=C/C=O)=O)COC(CCCCCCCCCCCCCC)=O