In-Silico Structure Database (LMISSD)

Common Name
PA(14:1(9Z)/6:1(4E)(3Ke,6OH,6Ke))
Systematic Name
1-(9Z-tetradecenoyl)-2-(3,6-dioxo-4E-hexenoyl)-sn-glycero-3-phosphate
LM ID
LMGP20079AK7
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
520.207353
Formula
C23H37O11P
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MDLMOL SDF CSV TSV PNG
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphates [GP2007]

String Representations

InChiKey (Click to copy)
XKHQHFQSZICYBP-UTNKONHBSA-N
InChi (Click to copy)
InChI=1S/C23H37O11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-22(27)32-17-20(18-33-35(29,30)31)34-23(28)16-19(24)14-15-21(25)26/h5-6,14-15,20H,2-4,7-13,16-18H2,1H3,(H,25,26)(H2,29,30,31)/b6-5-,15-14+/t20-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CC(=O)/C=C/C(=O)O)=O)COC(CCCCCCC/C=C\CCCC)=O

References

Other Databases