In-Silico Structure Database (LMISSD)
Common Name
PS(15:0/8:0(8Ke))
Systematic Name
1-pentadecanoyl-2-(8-Oxo-octanoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP20049AM9
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
623.343452
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoserines [GP2004]
String Representations
InChiKey (Click to copy)
VOBQPKXXXVIVBB-FTJBHMTQSA-N
InChi (Click to copy)
InChI=1S/C29H54NO11P/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-27(32)38-22-25(41-28(33)20-17-14-12-15-18-21-31)23-39-42(36,37)40-24-26(30)29(34)35/h21,25-26H,2-20,22-24,30H2,1H3,(H,34,35)(H,36,37)/t25-,26+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCC=O)=O)COC(CCCCCCCCCCCCCC)=O)(=O)O