In-Silico Structure Database (LMISSD)
Common Name
PS(15:0/11:2(6E,8E)(5OH,10OH,11Ke))
Systematic Name
1-pentadecanoyl-2-(5,10-Dihydroxy-11-oxo-6E,8E-undecadienoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP20049ALN
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
693.348932
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoserines [GP2004]
String Representations
InChiKey (Click to copy)
PFYGIBSPEJYLEZ-SSOYJJDBSA-N
InChi (Click to copy)
InChI=1S/C32H56NO13P/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-30(37)43-23-28(24-44-47(41,42)45-25-29(33)32(39)40)46-31(38)21-16-19-26(35)17-14-15-18-27(36)22-34/h14-15,17-18,22,26-29,35-36H,2-13,16,19-21,23-25,33H2,1H3,(H,39,40)(H,41,42)/b17-14+,18-15+/t26?,27?,28-,29+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCC(O)/C=C/C=C/C(O)C=O)=O)COC(CCCCCCCCCCCCCC)=O)(=O)O