NDG

2-acetamido-2-deoxy-alpha-D-glucopyranose

Created:	2002-07-02
Last modified:	2024-09-27

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102 entries where NDG is found as a standalone ligand19 entries where NDG is covalently linked to polymer or other heterogen groups 282 entries where NDG 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	2-acetamido-2-deoxy-alpha-D-glucopyranose
Synonyms	N-acetyl-alpha-D-glucosamine; 2-acetamido-2-deoxy-alpha-D-glucose; 2-acetamido-2-deoxy-D-glucose; 2-acetamido-2-deoxy-glucose; 2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE
Systematic Name (OpenEye OEToolkits)	N-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide
Formula	C₈ H₁₅ N O₆
Molecular Weight	221.208
Type	D-SACCHARIDE, ALPHA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(NC1C(O)C(O)C(OC1O)CO)C
SMILES	CACTVS	3.341	CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.5.0	CC(=O)NC1C(C(C(OC1O)CO)O)O
Canonical SMILES	CACTVS	3.341	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[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](O[C@@H]1O)CO)O)O
InChI	InChI	1.03	InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8+/m1/s1
InChIKey	InChI	1.03	OVRNDRQMDRJTHS-PVFLNQBWSA-N

Drug Info: DrugBank

DrugBank ID	DB03740
Name	N-acetyl-alpha-D-glucosamine
Groups	experimental
Description	The N-acetyl derivative of glucosamine.
Synonyms	N-acetyl-α-D-glucosamine 2-(acetylamino)-2-deoxy-A-D-glucopyranose α-GlcNAc N-acetyl-alpha-D-glucosamine 2-(acetylamino)-2-deoxy-α-D-glucopyranose α-D-GlcNAc
CAS number	10036-64-3

Drug Targets

Name	Target Sequence	Pharmacological Action
Angiotensin-converting enzyme	MGAASGRRGPGLLLPLPLLLLLPPQPALALDPGLQPGNFSADEAGAQLFA...	unknown
Acetylcholinesterase	MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRG...	unknown
Glucosylceramidase	MEFSSPSREECPKPLSRVSIMAGSLTGLLLLQAVSWASGARPCIPKSFGY...	unknown
Probable polysaccharide deacetylase PdaA	MKWMCSICCAAVLLAGGAAQAEAVPNEPINWGFKRSVNHQPPDAGKQLNS...	unknown
Sialic acid-binding Ig-like lectin 7	MLLLLLLPLLWGRERVEGQKSNRKDYSLTMQSSVTVQEGMCVHVRCSFSY...	unknown
Hemagglutinin-neuraminidase	MDRAVSQVALENDEREAKNTWRLIFRIAILLLTVVTLATSVASLVYSMGA...	unknown
Fucose-binding lectin PA-IIL	MATQGVFTLPANTRFGVTAFANSSGTQTVNVLVNNETAATFSGQSTNNAV...	unknown
Envelope glycoprotein gp160	MGCLGNQLLIAILLLSVYGIYCTQYVTVFYGVPAWRNATIPLFCATKNRD...	unknown
Ig gamma-1 chain C region	ASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGV...	unknown
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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