147

4-nitrophenyl beta-D-galactopyranoside

Created:	2001-09-27
Last modified:	2020-07-17

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6 entries where 147 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-nitrophenyl beta-D-galactopyranoside
Synonyms	1-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSE; 4-nitrophenyl beta-D-galactoside; 4-nitrophenyl D-galactoside; 4-nitrophenyl galactoside
Systematic Name (OpenEye OEToolkits)	(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol
Formula	C₁₂ H₁₅ N O₈
Molecular Weight	301.249
Type	D-SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	[O-][N+](=O)c2ccc(OC1OC(C(O)C(O)C1O)CO)cc2
SMILES	CACTVS	3.341	OC[CH]1O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)O
Canonical SMILES	CACTVS	3.341	OC[C@H]1O[C@@H](Oc2ccc(cc2)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@H]1O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O
InChI	InChI	1.03	InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9+,10+,11-,12-/m1/s1
InChIKey	InChI	1.03	IFBHRQDFSNCLOZ-YBXAARCKSA-N

Drug Info: DrugBank

DrugBank ID	DB02632
Name	4-nitrophenyl-beta-D-galactoside
Groups	experimental
Synonyms	p-Nitrophenyl-beta-D-galactoside 4-Nitrophenyl-beta-D-galactopyranoside p-Nitrophenyl beta-D-galactopyranoside 4-nitrophenyl-β-D-galactoside 1-O-(p-nitrophenyl)-β-D-galactose 1-O-(4-nitrophenyl)-β-D-galactose 4-nitrophenyl-beta-D-galactoside 1-O-(p-nitrophenyl)-β-D-galactopyranose 1-O-(4-nitrophenyl)-β-D-galactopyranose 1-O-[p-nitrophenyl]-beta-D-galactopyranose 4-nitrophenyl-β-D-galactopyranoside 4-Nitrophenylgalactoside
Categories	Affinity Labels Carbohydrates Compounds used in a research, industrial, or household setting Galactosides Glycosides Indicators and Reagents Laboratory Chemicals Photoaffinity Labels
CAS number	3150-24-1

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Galactoside O-acetyltransferase	MNMPMTERIRAGKLFTDMCEGLPEKRLRGKTLMYEFNHSHPSEVEKRESL...	unknown
Beta-galactosidase	MTMITDSLAVVLQRRDWENPGVTQLNRLAAHPPFASWRNSEEARTDRPSQ...	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