In-Silico Structure Database (LMISSD)
Common Name
PS(16:0/11:2(6E,8E)(5OH,10OH,11Ke))
Systematic Name
1-hexadecanoyl-2-(5,10-Dihydroxy-11-oxo-6E,8E-undecadienoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP20049APF
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
707.364582
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoserines [GP2004]
String Representations
InChiKey (Click to copy)
GPMYMBISLXADRX-AQEYYYCASA-N
InChi (Click to copy)
InChI=1S/C33H58NO13P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-31(38)44-24-29(25-45-48(42,43)46-26-30(34)33(40)41)47-32(39)22-17-20-27(36)18-15-16-19-28(37)23-35/h15-16,18-19,23,27-30,36-37H,2-14,17,20-22,24-26,34H2,1H3,(H,40,41)(H,42,43)/b18-15+,19-16+/t27?,28?,29-,30+/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(CCCCCCCCCCCCCCC)=O)(=O)O