In-Silico Structure Database (LMISSD)
Common Name
PS(15:1(9Z)/20:3(7E,10Z,14Z)(5Ep,9Ke){8,12})
Systematic Name
1-(9Z-pentadecenoyl)-2-(5,6-epoxycyclopentenone)-sn-glycero-3-phosphoserine
LM ID
LMGP20049AN6
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
795.432267
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoserines [GP2004]
String Representations
InChiKey (Click to copy)
NQFSBQIFWVGABH-BKWPZXQNSA-N
InChi (Click to copy)
InChI=1S/C41H66NO12P/c1-3-5-7-9-11-12-13-14-15-16-18-20-24-39(44)50-29-33(30-51-55(48,49)52-31-35(42)41(46)47)53-40(45)25-21-23-37-38(54-37)28-34-32(26-27-36(34)43)22-19-17-10-8-6-4-2/h11-12,17,19,26-28,32-33,35,37-38H,3-10,13-16,18,20-25,29-31,42H2,1-2H3,(H,46,47)(H,48,49)/b12-11-,19-17-,34-28+/t32?,33-,35+,37?,38?/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCC1OC1/C=C1/C(=O)C=CC/1C/C=C\CCCCC)=O)COC(CCCCCCC/C=C\CCCCC)=O)(=O)O