GAT

4-aminophenyl alpha-D-galactopyranoside

Created:	2000-02-09
Last modified:	2020-07-17

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1 entries where GAT is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	5
Bond Count	37
Aromatic Bond Count	6

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Chemical Component Summary
Name	4-aminophenyl alpha-D-galactopyranoside
Synonyms	4'-AMINOPHENYL-ALPHA-D-GALACTOPYRANOSIDE; P-AMINOPHENYL-ALPHA-D-GALACTOPYRANOSIDE; 4-aminophenyl alpha-D-galactoside; 4-aminophenyl D-galactoside; 4-aminophenyl galactoside
Systematic Name (OpenEye OEToolkits)	(2R,3R,4S,5R,6R)-2-(4-aminophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Formula	C₁₂ H₁₇ N O₆
Molecular Weight	271.266
Type	D-SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O(c1ccc(N)cc1)C2OC(C(O)C(O)C2O)CO
SMILES	CACTVS	3.341	Nc1ccc(O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)cc1
SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1N)OC2C(C(C(C(O2)CO)O)O)O
Canonical SMILES	CACTVS	3.341	Nc1ccc(O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1N)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O
InChI	InChI	1.03	InChI=1S/C12H17NO6/c13-6-1-3-7(4-2-6)18-12-11(17)10(16)9(15)8(5-14)19-12/h1-4,8-12,14-17H,5,13H2/t8-,9+,10+,11-,12+/m1/s1
InChIKey	InChI	1.03	MIAKOEWBCMPCQR-IIRVCBMXSA-N

Drug Info: DrugBank

DrugBank ID	DB03242
Name	P-Aminophenyl-Alpha-D-Galactopyranoside
Groups	experimental
Synonyms	P-Aminophenyl-Alpha-D-Galactopyranoside

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Heat-labile enterotoxin B chain	MNKVKCYVLFTALLSSLYAHGAPQTITELCSEYRNTQIYTINDKILSYTE...	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