4CB

4-CARBOXYPHENYLBORONIC ACID

Created:	2001-11-20
Last modified:	2024-09-27

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1 entries where 4CB is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	19
Aromatic Bond Count	6

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Chemical Component Summary
Name	4-CARBOXYPHENYLBORONIC ACID
Systematic Name (OpenEye OEToolkits)	4-(dihydroxyboranyl)benzoic acid
Formula	C₇ H₇ B O₄
Molecular Weight	165.939
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)c1ccc(B(O)O)cc1
SMILES	CACTVS	3.341	OB(O)c1ccc(cc1)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	B(c1ccc(cc1)C(=O)O)(O)O
Canonical SMILES	CACTVS	3.341	OB(O)c1ccc(cc1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	B(c1ccc(cc1)C(=O)O)(O)O
InChI	InChI	1.03	InChI=1S/C7H7BO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,11-12H,(H,9,10)
InChIKey	InChI	1.03	SIAVMDKGVRXFAX-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB03140
Name	4-Carboxyphenylboronic Acid
Groups	experimental
Synonyms	4-Carboxyphenylboronic Acid

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Beta-lactamase	MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIY...	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