In-Silico Structure Database (LMISSD)
Common Name
PA(22:5(4Z,7Z,10Z,13Z,16Z)/7:1(5E)(4Ke,7Ke))
Systematic Name
1-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-2-(4,7-dioxo-5E-heptenoyl)-sn-glycero-3-phosphate
LM ID
LMGP20079C9L
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
622.290688
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphates [GP2007]
String Representations
InChiKey (Click to copy)
RILADIAGRUIMJH-IEJDICFFSA-N
InChi (Click to copy)
InChI=1S/C32H47O10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-31(35)40-27-30(28-41-43(37,38)39)42-32(36)25-24-29(34)22-21-26-33/h6-7,9-10,12-13,15-16,18-19,21-22,26,30H,2-5,8,11,14,17,20,23-25,27-28H2,1H3,(H2,37,38,39)/b7-6-,10-9-,13-12-,16-15-,19-18-,22-21+/t30-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCC(=O)/C=C/C=O)=O)COC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O