145

2-nitrophenyl beta-D-galactopyranoside

Created:	2001-09-26
Last modified:	2020-07-17

Find Related PDB Entry
5 entries where 145 is found as a standalone ligand

Help Find related ligands:
Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Help

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

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

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	2-nitrophenyl beta-D-galactopyranoside
Synonyms	1-O-[O-NITROPHENYL]-BETA-D-GALACTOPYRANOSE; 2-nitrophenyl beta-D-galactoside; 2-nitrophenyl D-galactoside; 2-nitrophenyl galactoside
Systematic Name (OpenEye OEToolkits)	(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(2-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)c2c(OC1OC(C(O)C(O)C1O)CO)cccc2
SMILES	CACTVS	3.341	OC[CH]1O[CH](Oc2ccccc2[N+]([O-])=O)[CH](O)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(c(c1)[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)O
Canonical SMILES	CACTVS	3.341	OC[C@H]1O[C@@H](Oc2ccccc2[N+]([O-])=O)[C@H](O)[C@@H](O)[C@H]1O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(c(c1)[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)20-7-4-2-1-3-6(7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9+,10+,11-,12-/m1/s1
InChIKey	InChI	1.03	KUWPCJHYPSUOFW-YBXAARCKSA-N

Drug Info: DrugBank

DrugBank ID	DB01920
Name	1-O-[O-Nitrophenyl]-Beta-D-Galactopyranose
Groups	experimental
Description	Includes ortho-, meta-, and para-nitrophenylgalactosides. [PubChem]
Synonyms	1-O-[O-Nitrophenyl]-Beta-D-Galactopyranose

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
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