GCS

2-amino-2-deoxy-beta-D-glucopyranose

Created:	2000-06-20
Last modified:	2024-09-27

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15 entries where GCS is found as a standalone ligand9 entries where GCS is covalently linked to polymer or other heterogen groups 22 entries where GCS is found in a branched oligosaccharide

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	5
Bond Count	25
Aromatic Bond Count	0

2D diagram of GCS

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Chemical Component Summary
Name	2-amino-2-deoxy-beta-D-glucopyranose
Synonyms	beta-D-glucosamine; 2-amino-2-deoxy-beta-D-glucose; 2-amino-2-deoxy-D-glucose; 2-amino-2-deoxy-glucose; D-GLUCOSAMINE
Systematic Name (OpenEye OEToolkits)	(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
Formula	C₆ H₁₃ N O₅
Molecular Weight	179.171
Type	D-SACCHARIDE, BETA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	OC1C(O)C(OC(O)C1N)CO
SMILES	CACTVS	3.341	N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.5.0	C(C1C(C(C(C(O1)O)N)O)O)O
Canonical SMILES	CACTVS	3.341	N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)O
InChI	InChI	1.03	InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6-/m1/s1
InChIKey	InChI	1.03	MSWZFWKMSRAUBD-QZABAPFNSA-N

Related Resource References

Resource Name	Reference
PubChem	441477
ChEMBL	CHEMBL234432
ChEBI	CHEBI:16261, CHEBI:28393

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.