In-Silico Structure Database (LMISSD)
Common Name
PS(15:1(9Z)/8:0(8OH,8Ke))
Systematic Name
1-(9Z-pentadecenoyl)-2-(8-Carboxy-heptanoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP20049AO6
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
637.322717
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoserines [GP2004]
String Representations
InChiKey (Click to copy)
AHVILSUCKCHCHO-MVAOJKDVSA-N
InChi (Click to copy)
InChI=1S/C29H52NO12P/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-27(33)39-21-24(22-40-43(37,38)41-23-25(30)29(35)36)42-28(34)20-17-14-13-15-18-26(31)32/h6-7,24-25H,2-5,8-23,30H2,1H3,(H,31,32)(H,35,36)(H,37,38)/b7-6-/t24-,25+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCC(=O)O)=O)COC(CCCCCCC/C=C\CCCCC)=O)(=O)O