NGT

3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL

Created:	2001-01-08
Last modified:	2011-06-04

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12 entries where NGT is found as a standalone ligand6 entries where NGT is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	5
Bond Count	28
Aromatic Bond Count	0

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Chemical Component Summary
Name	3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL
Systematic Name (OpenEye OEToolkits)	(3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[5,6-d][1,3]thiazole-6,7-diol
Formula	C₈ H₁₃ N O₄ S
Molecular Weight	219.258
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	N1=C(SC2OC(C(O)C(O)C12)CO)C
SMILES	CACTVS	3.341	CC1=N[CH]2[CH](O)[CH](O)[CH](CO)O[CH]2S1
SMILES	OpenEye OEToolkits	1.5.0	CC1=NC2C(C(C(OC2S1)CO)O)O
Canonical SMILES	CACTVS	3.341	CC1=N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2S1
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O
InChI	InChI	1.03	InChI=1S/C8H13NO4S/c1-3-9-5-7(12)6(11)4(2-10)13-8(5)14-3/h4-8,10-12H,2H2,1H3/t4-,5-,6-,7-,8-/m1/s1
InChIKey	InChI	1.03	DRHXTSWSUAJOJZ-FMDGEEDCSA-N

Drug Info: DrugBank

DrugBank ID	DB03747
Name	N-Acetyl-glucosamine thiazoline
Groups	experimental
Description	N-Acetyl-glucosamine thiazoline (NAG-thiazoline) is an analog of the oxazolinium bicyclic intermediate leading from N-acetylglucosamine to 1,6-anhydro-N-acetylmuramic acid.
Synonyms	N-Acetyl-glucosamine thiazoline NAG-thiazoline
Categories	Amino Sugars Carbohydrates Hexosamines Sulfur Compounds
CAS number	179030-22-9

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Beta-hexosaminidase subunit beta	MELCGLGLPRPPMLLALLLATLLAAMLALLTQVALVVQVAEAARAPSVSA...	unknown
B-N-acetylhexosaminidase	MTTGAAPDRKAPVRPTPLDRVIPAPASVDPGGAPYRITRGTHIRVDDSRE...	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