In-Silico Structure Database (LMISSD)
Common Name
PA(15:0/8:1(6E)(5OH,8OH,8Ke))
Systematic Name
1-pentadecanoyl-2-(5-hydroxy-7-carboxy-6E-heptenoyl)-sn-glycero-3-phosphate
LM ID
LMGP20079ANE
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
566.285603
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphates [GP2007]
String Representations
InChiKey (Click to copy)
RKKOXQLPGMKPSQ-KAWLPFJSSA-N
InChi (Click to copy)
InChI=1S/C26H47O11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(30)35-20-23(21-36-38(32,33)34)37-26(31)17-14-15-22(27)18-19-24(28)29/h18-19,22-23,27H,2-17,20-21H2,1H3,(H,28,29)(H2,32,33,34)/b19-18+/t22?,23-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCCC(O)/C=C/C(=O)O)=O)COC(CCCCCCCCCCCCCC)=O