In-Silico Structure Database (LMISSD)
Common Name
PS(20:2(5Z,8Z)/6:1(4E)(6Ke))
Systematic Name
1-(5Z,8Z-eicosadienoyl)-2-(6-oxo-4E-hexenoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP20049CG8
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
659.343452
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoserines [GP2004]
String Representations
InChiKey (Click to copy)
DHOKVIVALITFMJ-MFMPTDCCSA-N
InChi (Click to copy)
InChI=1S/C32H54NO11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-30(35)41-25-28(44-31(36)23-20-18-21-24-34)26-42-45(39,40)43-27-29(33)32(37)38/h12-13,15-16,18,21,24,28-29H,2-11,14,17,19-20,22-23,25-27,33H2,1H3,(H,37,38)(H,39,40)/b13-12-,16-15-,21-18+/t28-,29+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CC/C=C/C=O)=O)COC(CCC/C=C\C/C=C\CCCCCCCCCCC)=O)(=O)O