NBG

N-acetyl-beta-D-glucopyranosylamine

Created:	1999-07-08
Last modified:	2024-09-27

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16 entries where NBG is found as a standalone ligand3 entries where NBG is found in a branched oligosaccharide

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	5
Bond Count	30
Aromatic Bond Count	0

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Chemical Component Summary
Name	N-acetyl-beta-D-glucopyranosylamine
Synonyms	1-N-ACETYL-BETA-D-GLUCOSAMINE; N-acetyl-beta-D-glucosylamine; N-acetyl-D-glucosylamine; N-acetyl-glucosylamine
Systematic Name (OpenEye OEToolkits)	N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethanamide
Formula	C₈ H₁₅ N O₆
Molecular Weight	221.208
Type	D-SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(NC1OC(C(O)C(O)C1O)CO)C
SMILES	CACTVS	3.341	CC(=O)N[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.5.0	CC(=O)NC1C(C(C(C(O1)CO)O)O)O
Canonical SMILES	CACTVS	3.341	CC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI	InChI	1.03	InChI=1S/C8H15NO6/c1-3(11)9-8-7(14)6(13)5(12)4(2-10)15-8/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8-/m1/s1
InChIKey	InChI	1.03	IBONACLSSOLHFU-JAJWTYFOSA-N

Drug Info: DrugBank

DrugBank ID	DB02320
Name	N-beta-D-glucopyranosylacetamide
Groups	experimental
Synonyms	N-beta-D-glucopyranosylacetamide 1-N-acetyl-beta-D-glucosamine
CAS number	6983-36-4

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Glycogen phosphorylase, muscle form	MSRPLSDQEKRKQISVRGLAGVENVTELKKNFNRHLHFTLVKDRNVATPR...	unknown
Glycogen phosphorylase, liver form	-	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