A2G

2-acetamido-2-deoxy-alpha-D-galactopyranose

Created:	1999-07-08
Last modified:	2024-09-27

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53 entries where A2G is found as a standalone ligand73 entries where A2G is covalently linked to polymer or other heterogen groups 118 entries where A2G is found in a branched oligosaccharide

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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 A2G

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Chemical Component Summary
Name	2-acetamido-2-deoxy-alpha-D-galactopyranose
Synonyms	N-acetyl-alpha-D-galactosamine; 2-acetamido-2-deoxy-alpha-D-galactose; 2-acetamido-2-deoxy-D-galactose; 2-acetamido-2-deoxy-galactose; N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE
Systematic Name (OpenEye OEToolkits)	N-[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide
Formula	C₈ H₁₅ N O₆
Molecular Weight	221.208
Type	D-SACCHARIDE, ALPHA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NC1C(O)C(O)C(OC1O)CO)C
SMILES	CACTVS	3.370	CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.7.0	CC(=O)NC1C(C(C(OC1O)CO)O)O
Canonical SMILES	CACTVS	3.370	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]1O
Canonical SMILES	OpenEye OEToolkits	1.7.0	CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O
InChI	InChI	1.03	InChI=1S/C8H15NO6/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	OVRNDRQMDRJTHS-CBQIKETKSA-N

Drug Info: DrugBank

DrugBank ID	DB03567
Name	alpha-N-Acetyl-D-galactosamine
Groups	experimental investigational
Description	The N-acetyl derivative of galactosamine. [PubChem]
Synonyms	N-acetyl-α-D-galactosamine Tn saccharide Tn saccharide component alpha-N-Acetyl-D-galactosamine N-acetyl-alpha-D-galactosamine α-GalpNAc Tn antigen saccharide component α-GalNAc Tn antigen saccharide GalNAc-α N-acetyl-2-deoxy-2-amino-galactose
CAS number	14215-68-0

Related Resource References

Resource Name	Reference
PubChem	84265
ChEBI	CHEBI:40356
CCDC/CSD	AGALAM10, AGALAM01

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.