In-Silico Structure Database (LMISSD)
Common Name
PS(10:0/8:0(8OH,8Ke))
Systematic Name
1-decanoyl-2-(8-Carboxy-heptanoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP20049ABY
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
569.260117
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoserines [GP2004]
String Representations
InChiKey (Click to copy)
VDQOVMWDVFRGGD-UXHICEINSA-N
InChi (Click to copy)
InChI=1S/C24H44NO12P/c1-2-3-4-5-6-7-11-14-22(28)34-16-19(17-35-38(32,33)36-18-20(25)24(30)31)37-23(29)15-12-9-8-10-13-21(26)27/h19-20H,2-18,25H2,1H3,(H,26,27)(H,30,31)(H,32,33)/t19-,20+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCC(=O)O)=O)COC(CCCCCCCCC)=O)(=O)O