BH2

(3R)-3-hydroxy-L-aspartic acid

Created: 2011-01-07
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count17
Chiral Atom Count2
Bond Count16
Aromatic Bond Count0
2D diagram of BH2

Chemical Component Summary

Name(3R)-3-hydroxy-L-aspartic acid
Systematic Name (OpenEye OEToolkits)(2S,3R)-2-azanyl-3-hydroxy-butanedioic acid
FormulaC4 H7 N O5
Molecular Weight149.102
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=C(O)C(O)C(C(=O)O)N
SMILESCACTVS3.370N[CH]([CH](O)C(O)=O)C(O)=O
SMILESOpenEye OEToolkits1.7.0C(C(C(=O)O)O)(C(=O)O)N
Canonical SMILESCACTVS3.370 N[C@@H]([C@@H](O)C(O)=O)C(O)=O
Canonical SMILESOpenEye OEToolkits1.7.0 [C@H]([C@H](C(=O)O)O)(C(=O)O)N
InChIInChI1.03 InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/t1-,2+/m0/s1
InChIKeyInChI1.03 YYLQUHNPNCGKJQ-NHYDCYSISA-N

Drug Info: DrugBank

DrugBank IDDB03640 
NameBeta-Hydroxyaspartic Acid
Groups experimental
SynonymsBeta-Hydroxyaspartic Acid
Categories
  • Amino Acids
  • Amino Acids, Acidic
  • Amino Acids, Dicarboxylic
  • Amino Acids, Peptides, and Proteins
  • Excitatory Amino Acids

Drug Targets

NameTarget SequencePharmacological ActionActions
Beta-lactamase TEMMSIQHFRVALIPFFAAFCLPVFAHPETLVKVKDAEDQLGARVGYIELDLN...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 14463
ChEMBL CHEMBL3317781
ChEBI CHEBI:17576