LCS

[5-hydroxy-6-methyl-4-({[(4E)-3-oxo-1,2-oxazolidin-4-ylidene]amino}methyl)pyridin-3-yl]methyl dihydrogen phosphate

Created: 1999-11-17
Last modified:  2011-07-21

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count36
Chiral Atom Count0
Bond Count37
Aromatic Bond Count6
2D diagram of LCS
Toggle HydrogenToggle Labels

Chemical Component Summary

Name[5-hydroxy-6-methyl-4-({[(4E)-3-oxo-1,2-oxazolidin-4-ylidene]amino}methyl)pyridin-3-yl]methyl dihydrogen phosphate
Systematic Name (OpenEye OEToolkits)[6-methyl-5-oxidanyl-4-[[(E)-(3-oxidanylidene-1,2-oxazolidin-4-ylidene)amino]methyl]pyridin-3-yl]methyl dihydrogen phosphate
FormulaC11 H14 N3 O7 P
Molecular Weight331.219
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=C2/C(=N/Cc1c(cnc(c1O)C)COP(=O)(O)O)CON2
SMILESCACTVS3.370Cc1ncc(CO[P](O)(O)=O)c(CN=C2CONC2=O)c1O
SMILESOpenEye OEToolkits1.7.2Cc1c(c(c(cn1)COP(=O)(O)O)CN=C2CONC2=O)O
Canonical SMILESCACTVS3.370 Cc1ncc(CO[P](O)(O)=O)c(CN=C2CONC2=O)c1O
Canonical SMILESOpenEye OEToolkits1.7.2 Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C/2\CONC2=O)O
InChIInChI1.03 InChI=1S/C11H14N3O7P/c1-6-10(15)8(3-13-9-5-20-14-11(9)16)7(2-12-6)4-21-22(17,18)19/h2,15H,3-5H2,1H3,(H,14,16)(H2,17,18,19)/b13-9+
InChIKeyInChI1.03 KFCQHWOGBVCKHR-UKTHLTGXSA-N

Drug Info: DrugBank

DrugBank IDDB03787 
Name(5-Hydroxy-6-methyl-4-{[(E)-(3-oxo-1,2-oxazolidin-4-ylidene)amino]methyl}-3-pyridinyl)methyl dihydrogen phosphate
Groups experimental
Synonyms(5-Hydroxy-6-methyl-4-{[(E)-(3-oxo-1,2-oxazolidin-4-ylidene)amino]methyl}-3-pyridinyl)methyl dihydrogen phosphate

Drug Targets

NameTarget SequencePharmacological ActionActions
2,2-dialkylglycine decarboxylaseMSLNDDATFWRNARQHLVRYGGTFEPMIIERAKGSFVYDADGRAILDFTS...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682