N-Acetyl-D-Galactosamine

HCID 35717

Substructure search Find similar structures

Basic information

CAS: 1136-42-1
Standard SMILES: CC(=O)N[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O
InChIKey: OVRNDRQMDRJTHS-KEWYIRBNSA-N
Molecular formula: C8H15NO6
Average molar mass: 221.21 g/mol
Monoisotopic mass: 221.0899372

Overview

N-acetyl-D-galactosamine is the D-enantiomer of N-acetylgalactosamine. It has a role as a mouse metabolite, an Escherichia coli metabolite and a human metabolite. It is a N-acetyl-D-hexosamine and a N-acetylgalactosamine.

Names & identifiers

Preferred name: N-Acetyl-D-Galactosamine
IUPAC: N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
English name: ACETAMIDO-2-DEOXY-D-GALACTOPYRANOSE, 2-(RG)
Molecular formula: C8H15NO6
Molecular weight: 221.208

Names & synonyms

N-Acetyl-D-galactosamineGalNAcD-GalNAc2-acetamido-2-deoxy-D-galactopyranosen-acetyl-galactosamineCHEBI:280372-acetamido-2-deoxy-galactose2-deoxy-2-acetamido-galactose2-Deoxy-2-Acetamido-D-Galactose2-Acetamido-2-Deoxy-Galactopyranose2-Deoxy-2-Acetamido-Galactopyranose2-Acetamido-2-Deoxy-Galactopyranoside

Show more names

ACETAMIDO-2-DEOXY-D-GALACTOPYRANOSE, 2-(RG)N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamideN-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamideN-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-methylol-tetrahydropyran-3-yl]acetamide

2-Deoxy-2-Acetamido-Galactopyranoside2-Deoxy-2-Acetamido-D-Galactopyranose2-acetamido-2-deoxy-d-galactopyranoside2-Deoxy-2-Acetamido-D-GalactopyranosideN-((3R,4R,5R,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl)ethanamideN-[(3R,4R,5R,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamideSNFG:GalNAcGalNAc (SNFG)

Database identifiers

CAS: 1136-42-1、1811-31-0、31022-50-1
PubChem CID: 35717
DTXSID: DTXSID701364903
ChEMBL: CHEMBL469447
ChEBI: CHEBI:28037
EC Number: 217-321-9
Nikkaji: J1.345.261J

Properties

Computed structural properties

XLogP: -1.7
Topological polar surface area: 119 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 235

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.

Not Classified

Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 2 items

Chemical: D-Galactose, 2-(acetylamino)-2-deoxy-

D-Galactose, 2-(acetylamino)-2-deoxy-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesNot Classified

Chemistry & industry

Suppliers2 total

天津一方科技有限公司[email protected]

CHROMADEX[email protected]

Additional notes

DefinitionChEBI: N-acetyl-D-galactosamine is the D-enantiomer of N-acetylgalactosamine. It has a role as a human metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a N-acetyl-D-hexosamine and a N-acetylgalactosamine.