In-Silico Structure Database (LMISSD)
Common Name
PS(15:0/20:2(7E,14Z)(5Ep,9Ke,11OH){8,12})
Systematic Name
1-pentadecanoyl-2-(5,6-epoxy-isoPE2)-sn-glycero-3-phosphoserine
LM ID
LMGP20049AL9
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
815.458482
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoserines [GP2004]
String Representations
InChiKey (Click to copy)
ZPKTZEIDKVBORF-OGFDSUHWSA-N
InChi (Click to copy)
InChI=1S/C41H70NO13P/c1-3-5-7-9-11-12-13-14-15-16-18-20-24-39(45)51-28-31(29-52-56(49,50)53-30-34(42)41(47)48)54-40(46)25-21-23-37-38(55-37)26-33-32(35(43)27-36(33)44)22-19-17-10-8-6-4-2/h17,19,26,31-32,34-35,37-38,43H,3-16,18,20-25,27-30,42H2,1-2H3,(H,47,48)(H,49,50)/b19-17-,33-26+/t31-,32?,34+,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)CC(O)C/1C/C=C\CCCCC)=O)COC(CCCCCCCCCCCCCC)=O)(=O)O