BBK

2-acetamido-2-deoxy-5-thio-alpha-D-galactopyranose

Created:	2014-04-30
Last modified:	2020-07-17

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2 entries where BBK is found as a standalone ligand

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

2D diagram of BBK

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

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C1(O)C(C(O)C(C(S1)CO)O)NC(C)=O
SMILES	CACTVS	3.385	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	3.385	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)N[C@@H]1[C@H]([C@H]([C@H](S[C@@H]1O)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-CBQIKETKSA-N

Related Resource References

Resource Name	Reference
PubChem	67125351

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.