In-Silico Structure Database (LMISSD)
Common Name
PS(15:0/20:4(5Z,8Z,11Z,13E)(15Ke))
Systematic Name
1-pentadecanoyl-2-(15-Oxo-ETE)-sn-glycero-3-phosphoserine
LM ID
LMGP20049AMF
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
783.468652
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoserines [GP2004]
String Representations
InChiKey (Click to copy)
BKKCURXOENVFNX-VTGSADSBSA-N
InChi (Click to copy)
InChI=1S/C41H70NO11P/c1-3-5-7-8-9-10-11-14-17-20-23-27-31-39(44)50-33-37(34-51-54(48,49)52-35-38(42)41(46)47)53-40(45)32-28-24-21-18-15-12-13-16-19-22-26-30-36(43)29-25-6-4-2/h12-13,18-19,21-22,26,30,37-38H,3-11,14-17,20,23-25,27-29,31-35,42H2,1-2H3,(H,46,47)(H,48,49)/b13-12-,21-18-,22-19-,30-26+/t37-,38+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C=C\C(=O)CCCCC)=O)COC(CCCCCCCCCCCCCC)=O)(=O)O