In-Silico Structure Database (LMISSD)

Common Name
PA(13:0/13:2(9E,11E)(8OH,13Ke))
Systematic Name
1-tridecanoyl-2-(8-hydroxy-13-oxo-9E,11E-tridecadienoyl)-sn-glycero-3-phosphate
LM ID
LMGP20079AF6
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
590.321988
Formula
C29H51O10P
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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)
QIDWJKSKIQJAGL-NROCLKKYSA-N
InChi (Click to copy)
InChI=1S/C29H51O10P/c1-2-3-4-5-6-7-8-9-10-16-21-28(32)37-24-27(25-38-40(34,35)36)39-29(33)22-17-12-11-14-19-26(31)20-15-13-18-23-30/h13,15,18,20,23,26-27,31H,2-12,14,16-17,19,21-22,24-25H2,1H3,(H2,34,35,36)/b18-13+,20-15+/t26?,27-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCCCCCC(O)/C=C/C=C/C=O)=O)COC(CCCCCCCCCCCC)=O

References

Other Databases