In-Silico Structure Database (LMISSD)
Common Name
PS(15:0/8:1(6E)(5Ke,8Ke))
Systematic Name
1-pentadecanoyl-2-(5,8-dioxo-6E-octenoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP20049ANB
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
635.307067
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoserines [GP2004]
String Representations
InChiKey (Click to copy)
URPVNQKSLNNRJY-WDJSDFQHSA-N
InChi (Click to copy)
InChI=1S/C29H50NO12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-27(33)39-21-25(22-40-43(37,38)41-23-26(30)29(35)36)42-28(34)19-14-16-24(32)17-15-20-31/h15,17,20,25-26H,2-14,16,18-19,21-23,30H2,1H3,(H,35,36)(H,37,38)/b17-15+/t25-,26+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCC(=O)/C=C/C=O)=O)COC(CCCCCCCCCCCCCC)=O)(=O)O