In-Silico Structure Database (LMISSD)
Common Name
PA(18:4(9E,11E,13E,15E)/12:1(10E)(9OH,12Ke))
Systematic Name
1-(9E,11E,13E,15E-octadecatetraenoyl)-2-(9-hydroxy-12-oxo-10E-dodecenoyl)-sn-glycero-3-phosphate
LM ID
LMGP20079B0Q
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
640.337638
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphates [GP2007]
String Representations
InChiKey (Click to copy)
VYPVYZSNXQDWAD-LVZMMDFWSA-N
InChi (Click to copy)
InChI=1S/C33H53O10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-25-32(36)41-28-31(29-42-44(38,39)40)43-33(37)26-21-18-15-16-19-23-30(35)24-22-27-34/h3-10,22,24,27,30-31,35H,2,11-21,23,25-26,28-29H2,1H3,(H2,38,39,40)/b4-3+,6-5+,8-7+,10-9+,24-22+/t30?,31-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCCCCCCC(O)/C=C/C=O)=O)COC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O