SYM

2S,4R-4-METHYLGLUTAMATE

Created:2004-02-16
Last modified:  2011-06-04

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Chemical Details

Formal Charge-1
Atom Count21
Chiral Atom Count2
Bond Count20
Aromatic Bond Count0
2D diagram of SYM

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Chemical Component Summary

Name2S,4R-4-METHYLGLUTAMATE
Systematic Name (OpenEye OEToolkits)(2S,4R)-2-amino-5-hydroxy-4-methyl-5-oxo-pentanoate
FormulaC6 H10 N O4
Molecular Weight160.148
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04[O-]C(=O)C(N)CC(C(=O)O)C
SMILESCACTVS3.341C[CH](C[CH](N)C([O-])=O)C(O)=O
SMILESOpenEye OEToolkits1.5.0CC(CC(C(=O)[O-])N)C(=O)O
Canonical SMILESCACTVS3.341 C[C@H](C[C@H](N)C([O-])=O)C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 C[C@H](C[C@@H](C(=O)[O-])N)C(=O)O
InChIInChI1.03 InChI=1S/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)/p-1/t3-,4+/m1/s1
InChIKeyInChI1.03 KRKRAOXTGDJWNI-DMTCNVIQSA-M

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB03425 
Name2s,4r-4-Methylglutamate
Groups experimental
Synonyms2s,4r-4-Methylglutamate
Categories
  • Amino Acids
  • Amino Acids, Acidic
  • Amino Acids, Dicarboxylic
  • Amino Acids, Peptides, and Proteins

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Glutamate receptor ionotropic, kainate 2MKIIFPILSNPVFRRTVKLLLCLLWIGYSQGTTHVLRFGGIFEYVESGPM...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

Related Resource References

Resource NameReference
PubChem 6971091, 131704245, 49867704