In-Silico Structure Database (LMISSD)

Common Name
PA(14:1(9Z)/18:2(9Z,11E)(13OH[R]))
Systematic Name
1-(9Z-tetradecenoyl)-2-(13R-HODE)-sn-glycero-3-phosphate
LM ID
LMGP20079AJ4
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
658.420973
Formula
C35H63O9P
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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)
MSUVKKYXNBMBPN-MBKGPTLZSA-N
InChi (Click to copy)
InChI=1S/C35H63O9P/c1-3-5-7-8-9-10-11-14-17-20-24-28-34(37)42-30-33(31-43-45(39,40)41)44-35(38)29-25-21-18-15-12-13-16-19-23-27-32(36)26-22-6-4-2/h8-9,16,19,23,27,32-33,36H,3-7,10-15,17-18,20-22,24-26,28-31H2,1-2H3,(H2,39,40,41)/b9-8-,19-16-,27-23+/t32-,33-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCCCCCC/C=C\C=C\[C@H](O)CCCCC)=O)COC(CCCCCCC/C=C\CCCC)=O

References

Other Databases