In-Silico Structure Database (LMISSD)
Common Name
PS(15:0/12:0(9Ke,12Ke))
Systematic Name
1-pentadecanoyl-2-(9,12-dioxodecanoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP20049ALO
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
693.385317
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoserines [GP2004]
String Representations
InChiKey (Click to copy)
JZAQAHDSSLVBGM-IHLOFXLRSA-N
InChi (Click to copy)
InChI=1S/C33H60NO12P/c1-2-3-4-5-6-7-8-9-10-11-14-17-22-31(37)43-25-29(26-44-47(41,42)45-27-30(34)33(39)40)46-32(38)23-18-15-12-13-16-20-28(36)21-19-24-35/h24,29-30H,2-23,25-27,34H2,1H3,(H,39,40)(H,41,42)/t29-,30+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCC(=O)CCC=O)=O)COC(CCCCCCCCCCCCCC)=O)(=O)O