ABH

2(S)-AMINO-6-BORONOHEXANOIC ACID

Created:	1999-10-07
Last modified:	2011-06-04

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15 entries where ABH is found as a standalone ligand

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Chemical Details
Formal Charge	-1
Atom Count	28
Chiral Atom Count	1
Bond Count	27
Aromatic Bond Count	0

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Chemical Component Summary
Name	2(S)-AMINO-6-BORONOHEXANOIC ACID
Systematic Name (OpenEye OEToolkits)	[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trihydroxy-boron
Formula	C₆ H₁₅ B N O₅
Molecular Weight	191.998
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(N)CCCC[B-](O)(O)O
SMILES	CACTVS	3.341	N[CH](CCCC[B-](O)(O)O)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	[B-](CCCCC(C(=O)O)N)(O)(O)O
Canonical SMILES	CACTVS	3.341	N[C@@H](CCCC[B-](O)(O)O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	[B-](CCCC[C@@H](C(=O)O)N)(O)(O)O
InChI	InChI	1.03	InChI=1S/C6H15BNO5/c8-5(6(9)10)3-1-2-4-7(11,12)13/h5,11-13H,1-4,8H2,(H,9,10)/q-1/t5-/m0/s1
InChIKey	InChI	1.03	BLVGFZFOWWBCCZ-YFKPBYRVSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB01983
Name	2(S)-Amino-6-Boronohexanoic Acid
Groups	experimental
Synonyms	2(S)-Amino-6-Boronohexanoic Acid

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

Name	Target Sequence	Pharmacological Action	Actions
Arginase-1	MSAKSRTIGIIGAPFSKGQPRGGVEEGPTVLRKAGLLEKLKEQECDVKDY...	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