In-Silico Structure Database (LMISSD)
Common Name
PS(O-14:0/8:1(6E)(5Ke,8OH,8Ke))
Systematic Name
1-tetradecyl-2-(5-keto-7-carboxy-6E-heptenoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP20049EOS
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)
QMTYWOCBWPAIQU-UMKJWHCGSA-N
InChi (Click to copy)
InChI=1S/C28H50NO12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-38-20-24(21-39-42(36,37)40-22-25(29)28(34)35)41-27(33)16-14-15-23(30)17-18-26(31)32/h17-18,24-25H,2-16,19-22,29H2,1H3,(H,31,32)(H,34,35)(H,36,37)/b18-17+/t24-,25+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCC(=O)/C=C/C(=O)O)=O)COCCCCCCCCCCCCCC)(=O)O