BGN

2-(butanoylamino)-2-deoxy-beta-D-glucopyranose

Created:	2001-07-31
Last modified:	2020-07-17

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1 entries where BGN is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	5
Bond Count	36
Aromatic Bond Count	0

2D diagram of BGN

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Chemical Component Summary
Name	2-(butanoylamino)-2-deoxy-beta-D-glucopyranose
Synonyms	N-BUTANOYL-2-AMINO-2-DEOXY-GLUCOPYRANOSIDE; N-BUTANOYL-GLUCOSAMINE; N-butanoyl-beta-D-glucosamine; 2-(butanoylamino)-2-deoxy-beta-D-glucose; 2-(butanoylamino)-2-deoxy-D-glucose; 2-(butanoylamino)-2-deoxy-glucose
Systematic Name (OpenEye OEToolkits)	N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide
Formula	C₁₀ H₁₉ N O₆
Molecular Weight	249.261
Type	D-SACCHARIDE, BETA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(NC1C(O)C(O)C(OC1O)CO)CCC
SMILES	CACTVS	3.341	CCCC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.5.0	CCCC(=O)NC1C(C(C(OC1O)CO)O)O
Canonical SMILES	CACTVS	3.341	CCCC(=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	CCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O
InChI	InChI	1.03	InChI=1S/C10H19NO6/c1-2-3-6(13)11-7-9(15)8(14)5(4-12)17-10(7)16/h5,7-10,12,14-16H,2-4H2,1H3,(H,11,13)/t5-,7-,8-,9-,10-/m1/s1
InChIKey	InChI	1.03	RPJMPMDUKSRLLF-QXOHVQIXSA-N

Related Resource References

Resource Name	Reference
PubChem	447448
ChEMBL	CHEMBL1231320

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