4HA

4-HYDROXYBUTAN-1-AMINIUM

Created:	2004-02-02
Last modified:	2011-06-04

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2 entries where 4HA is found as a standalone ligand

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Chemical Details
Formal Charge	1
Atom Count	18
Chiral Atom Count	0
Bond Count	17
Aromatic Bond Count	0

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Chemical Component Summary
Name	4-HYDROXYBUTAN-1-AMINIUM
Systematic Name (OpenEye OEToolkits)	4-hydroxybutylazanium
Formula	C₄ H₁₂ N O
Molecular Weight	90.144
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	OCCCC[NH3+]
SMILES	CACTVS	3.341	[NH3+]CCCCO
SMILES	OpenEye OEToolkits	1.5.0	C(CCO)C[NH3+]
Canonical SMILES	CACTVS	3.341	[NH3+]CCCCO
Canonical SMILES	OpenEye OEToolkits	1.5.0	C(CCO)C[NH3+]
InChI	InChI	1.03	InChI=1S/C4H11NO/c5-3-1-2-4-6/h6H,1-5H2/p+1
InChIKey	InChI	1.03	BLFRQYKZFKYQLO-UHFFFAOYSA-O

Drug Info: DrugBank

DrugBank ID	DB02541
Name	4-Hydroxybutan-1-Aminium
Groups	experimental
Synonyms	4-Hydroxybutan-1-Aminium

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Trypsin-3	MCGPDDRCPARWPGPGRAVKCGKGLAAARPGRVERGGAQRGGAGLELHPL...	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