A3B

D-VINYLGLYCINE

Created:2004-08-29
Last modified:  2020-05-26

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Chemical Details

Formal Charge0
Atom Count14
Chiral Atom Count1
Bond Count13
Aromatic Bond Count0
2D diagram of A3B

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Toggle HydrogenToggle Labels

Chemical Component Summary

NameD-VINYLGLYCINE
Synonyms2-AMMONIOBUT-3-ENOATE; 2-AMINO-3-BUTENOATE
Systematic Name (OpenEye OEToolkits)(2R)-2-azaniumylbut-3-enoate
FormulaC4 H7 N O2
Molecular Weight101.104
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04[O-]C(=O)C(\C=C)[NH3+]
SMILESCACTVS3.341[NH3+][CH](C=C)C([O-])=O
SMILESOpenEye OEToolkits1.5.0C=CC(C(=O)[O-])[NH3+]
Canonical SMILESCACTVS3.341 [NH3+][C@H](C=C)C([O-])=O
Canonical SMILESOpenEye OEToolkits1.5.0 C=C[C@H](C(=O)[O-])[NH3+]
InChIInChI1.03 InChI=1S/C4H7NO2/c1-2-3(5)4(6)7/h2-3H,1,5H2,(H,6,7)/t3-/m1/s1
InChIKeyInChI1.03 RQVLGLPAZTUBKX-GSVOUGTGSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB01804 
Name2-Ammoniobut-3-Enoate, 2-Amino-3-Butenoate
Groups experimental
Synonyms2-Ammoniobut-3-Enoate, 2-Amino-3-Butenoate

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
1-aminocyclopropane-1-carboxylate deaminaseMNLQRFPRYPLTFGPTPIQPLARLSKHLGGKVHLYAKREDCNSGLAFGGN...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 5287580, 5287579