In-Silico Structure Database (LMISSD)
Common Name
PA(15:0/9:2(5E,7E)(4Ke,9Ke))
Systematic Name
1-pentadecanoyl-2-(4,9-dioxo-5E,7E-nonadienoyl)-sn-glycero-3-phosphate
LM ID
LMGP20079ANH
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
560.275038
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphates [GP2007]
String Representations
InChiKey (Click to copy)
BEFBZHPXIFBKDH-VOOIAZLBSA-N
InChi (Click to copy)
InChI=1S/C27H45O10P/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-26(30)35-22-25(23-36-38(32,33)34)37-27(31)20-19-24(29)17-14-13-16-21-28/h13-14,16-17,21,25H,2-12,15,18-20,22-23H2,1H3,(H2,32,33,34)/b16-13+,17-14+/t25-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCC(=O)/C=C/C=C/C=O)=O)COC(CCCCCCCCCCCCCC)=O