In-Silico Structure Database (LMISSD)
Common Name
PS(15:0/7:1(5E)(4OH,7Ke))
Systematic Name
1-pentadecanoyl-2-(4-hydroxy-7-oxo-5E-heptenoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP20049AM7
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
623.307067
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoserines [GP2004]
String Representations
InChiKey (Click to copy)
SVAZGEXOVAEFRW-XTHKXDJFSA-N
InChi (Click to copy)
InChI=1S/C28H50NO12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-26(32)38-20-24(41-27(33)18-17-23(31)15-14-19-30)21-39-42(36,37)40-22-25(29)28(34)35/h14-15,19,23-25,31H,2-13,16-18,20-22,29H2,1H3,(H,34,35)(H,36,37)/b15-14+/t23?,24-,25+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCC(O)/C=C/C=O)=O)COC(CCCCCCCCCCCCCC)=O)(=O)O