In-Silico Structure Database (LMISSD)
Common Name
PS(10:0/11:1(9E)(11Ke))
Systematic Name
1-decanoyl-2-(11-Oxo-9E-undecenoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP20049AAA
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
593.296502
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoserines [GP2004]
String Representations
InChiKey (Click to copy)
TVJVFKXINFTIHK-PEEOZJOBSA-N
InChi (Click to copy)
InChI=1S/C27H48NO11P/c1-2-3-4-5-8-11-14-17-25(30)36-20-23(21-37-40(34,35)38-22-24(28)27(32)33)39-26(31)18-15-12-9-6-7-10-13-16-19-29/h13,16,19,23-24H,2-12,14-15,17-18,20-22,28H2,1H3,(H,32,33)(H,34,35)/b16-13+/t23-,24+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCC/C=C/C=O)=O)COC(CCCCCCCCC)=O)(=O)O