In-Silico Structure Database (LMISSD)
Common Name
PS(15:1(9Z)/11:1(9E)(11Ke))
Systematic Name
1-(9Z-pentadecenoyl)-2-(11-Oxo-9E-undecenoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP20049ANI
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
661.359102
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoserines [GP2004]
String Representations
InChiKey (Click to copy)
LJHZDERVVTYSAJ-JLFOVTMHSA-N
InChi (Click to copy)
InChI=1S/C32H56NO11P/c1-2-3-4-5-6-7-8-9-10-13-16-19-22-30(35)41-25-28(26-42-45(39,40)43-27-29(33)32(37)38)44-31(36)23-20-17-14-11-12-15-18-21-24-34/h6-7,18,21,24,28-29H,2-5,8-17,19-20,22-23,25-27,33H2,1H3,(H,37,38)(H,39,40)/b7-6-,21-18+/t28-,29+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCC/C=C/C=O)=O)COC(CCCCCCC/C=C\CCCCC)=O)(=O)O