HWD

2-AMINO-3-(2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID

Created:2002-09-20
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count23
Chiral Atom Count1
Bond Count23
Aromatic Bond Count6
2D diagram of HWD

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Toggle HydrogenToggle Labels

Chemical Component Summary

Name2-AMINO-3-(2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID
SynonymsWILLARDIINE
Systematic Name (OpenEye OEToolkits)(2S)-2-amino-3-(2,4-dioxopyrimidin-1-yl)propanoic acid
FormulaC7 H9 N3 O4
Molecular Weight199.164
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C(N)CN1C=CC(=O)NC1=O
SMILESCACTVS3.341N[CH](CN1C=CC(=O)NC1=O)C(O)=O
SMILESOpenEye OEToolkits1.5.0C1=CN(C(=O)NC1=O)CC(C(=O)O)N
Canonical SMILESCACTVS3.341 N[C@@H](CN1C=CC(=O)NC1=O)C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 C1=CN(C(=O)NC1=O)C[C@@H](C(=O)O)N
InChIInChI1.03 InChI=1S/C7H9N3O4/c8-4(6(12)13)3-10-2-1-5(11)9-7(10)14/h1-2,4H,3,8H2,(H,12,13)(H,9,11,14)/t4-/m0/s1
InChIKeyInChI1.03 FACUYWPMDKTVFU-BYPYZUCNSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB04129 
NameWillardiine
Groups experimental
DescriptionWillardiine is a compound isolated from seeds of _Acacia willariana_.
Synonyms
  • Willardiine
  • beta-(2,4-Dihydroxypyrimidin-1-yl)alanine
Categories
  • Amino Acids
  • Amino Acids, Peptides, and Proteins
  • Pyrimidines
  • Pyrimidinones
CAS number21416-43-3

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 1MQHIFAFFCTGFLGAVVGANFPNNIQIGGLFPNQQSQEHAAFRFALSQLT...unknowninhibitor
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
Pharos CHEMBL122005
PubChem 440053, 25200769
ChEMBL CHEMBL122005
ChEBI CHEBI:57543, CHEBI:15851