BFD

ASPARTATE BERYLLIUM TRIFLUORIDE

Created: 2000-09-26
Last modified:  2024-09-27

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Chemical Details

Formal Charge-2
Atom Count19
Chiral Atom Count1
Bond Count18
Aromatic Bond Count0
2D diagram of BFD
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Chemical Component Summary

NameASPARTATE BERYLLIUM TRIFLUORIDE
Systematic Name (OpenEye OEToolkits)[(3S)-3-amino-4-hydroxy-4-oxo-butanoyl]oxy-trifluoro-beryllium
FormulaC4 H6 Be F3 N O4
Molecular Weight198.102
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(O[Be-2](F)(F)F)CC(N)C(=O)O
SMILESCACTVS3.341N[CH](CC(=O)O[Be--](F)(F)F)C(O)=O
SMILESOpenEye OEToolkits1.5.0[Be-2](OC(=O)CC(C(=O)O)N)(F)(F)F
Canonical SMILESCACTVS3.341 N[C@@H](CC(=O)O[Be--](F)(F)F)C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 [Be-2](OC(=O)C[C@@H](C(=O)O)N)(F)(F)F
InChIInChI1.03 InChI=1S/C4H7NO4.Be.3FH/c5-2(4(8)9)1-3(6)7;;;;/h2H,1,5H2,(H,6,7)(H,8,9);;3*1H/q;+2;;;/p-4/t2-;;;;/m0..../s1
InChIKeyInChI1.03 AHUXVQYBCVIJSZ-AIDJSRAFSA-J

Drug Info: DrugBank

DrugBank IDDB04156 
NameAspartate beryllium trifluoride
Groups experimental
SynonymsAspartate beryllium trifluoride

Drug Targets

NameTarget SequencePharmacological ActionActions
Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1MDSSAVITQISKEEARGPLRGKGDQKSAASQKPRSRGILHSLFCCVCRDD...unknown
Sugar phosphatase YbiVMSVKVIVTDMDGTFLNDAKTYNQPRFMAQYQELKKRGIKFVVASGNQYYQ...unknown
Chemotaxis protein CheYMADKELKFLVVDDFSTMRRIVRNLLKELGFNNVEEAEDGVDALNKLQAGG...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