0YT

2-acetamido-2-deoxy-5-thio-beta-D-glucopyranose

Created:	2012-09-18
Last modified:	2024-09-27

Find Related PDB Entry
1 entries where 0YT is covalently linked to polymer or other heterogen groups

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	30
Chiral Atom Count	5
Bond Count	30
Aromatic Bond Count	0

2D diagram of 0YT

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	2-acetamido-2-deoxy-5-thio-beta-D-glucopyranose
Synonyms	2-(acetylamino)-2-deoxy-5-thio-beta-D-glucopyranose; 2-acetamido-2-deoxy-5-thio-beta-D-glucose; 2-acetamido-2-deoxy-5-thio-D-glucose; 2-acetamido-2-deoxy-5-thio-glucose
Systematic Name (OpenEye OEToolkits)	N-[6-(hydroxymethyl)-2,4,5-tris(oxidanyl)thian-3-yl]ethanamide
Formula	C₈ H₁₅ N O₅ S
Molecular Weight	237.273
Type	D-SACCHARIDE, BETA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NC1C(O)C(O)C(SC1O)CO)C
SMILES	CACTVS	3.370	CC(=O)N[CH]1[CH](O)S[CH](CO)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.7.6	CC(=O)NC1C(C(C(SC1O)CO)O)O
Canonical SMILES	CACTVS	3.370	CC(=O)N[C@H]1[C@H](O)S[C@H](CO)[C@@H](O)[C@@H]1O
Canonical SMILES	OpenEye OEToolkits	1.7.6	CC(=O)NC1C(C(C(SC1O)CO)O)O
InChI	InChI	1.03	InChI=1S/C8H15NO5S/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	DYCCLPFFILCZGU-FMDGEEDCSA-N

Related Resource References

Resource Name	Reference
PubChem	22887083

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.