SHI

(S)-2-AMINO-3-(3-HYDROXY-ISOXAZOL-4-YL)PROPIONIC ACID

Created:2002-09-18
Last modified:  2021-03-01

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Chemical Details

Formal Charge0
Atom Count20
Chiral Atom Count1
Bond Count20
Aromatic Bond Count5
2D diagram of SHI

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Chemical Component Summary

Name(S)-2-AMINO-3-(3-HYDROXY-ISOXAZOL-4-YL)PROPIONIC ACID
Synonyms(S)-DES-ME-AMPA
Systematic Name (OpenEye OEToolkits)(2S)-2-amino-3-(3-hydroxy-1,2-oxazol-4-yl)propanoic acid
FormulaC6 H8 N2 O4
Molecular Weight172.139
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C(N)Cc1conc1O
SMILESCACTVS3.341N[CH](Cc1conc1O)C(O)=O
SMILESOpenEye OEToolkits1.5.0c1c(c(no1)O)CC(C(=O)O)N
Canonical SMILESCACTVS3.341 N[C@@H](Cc1conc1O)C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 c1c(c(no1)O)C[C@@H](C(=O)O)N
InChIInChI1.03 InChI=1S/C6H8N2O4/c7-4(6(10)11)1-3-2-12-8-5(3)9/h2,4H,1,7H2,(H,8,9)(H,10,11)/t4-/m0/s1
InChIKeyInChI1.03 ZKLGQYGPVBFAQQ-BYPYZUCNSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB01664 
Name(S)-DES-ME-AMPA
Groups experimental
Synonyms
  • (S)-2-amino-3-(3-hydroxy-isoxazol-4-yl)propionic acid
  • (S)-DES-ME-AMPA

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 2MQKIMHISVLLSPVLWGLIFGVSSNSIQIGGLFPRGADQEYSAFRVGMVQ...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 447195