N-acetyl-beta-D-galactosamine (CHEBI:28497)

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CHEBI:28497 - N-acetyl-β-D-galactosamine

ChEBI ID	CHEBI:28497
ChEBI Name	N-acetyl-β-D-galactosamine
Stars
ASCII Name	N-acetyl-beta-D-galactosamine
Definition	An N-acetyl-D-galactosamine having β-configuration at the anomeric centre.
Secondary ChEBI IDs	CHEBI:7166, CHEBI:21576, CHEBI:44496
Last Modified	29 March 2024
Downloads	Molfile

Formula	C8H15NO6
Net Charge	0
Average Mass	221.209
Monoisotopic Mass	221.08994
SMILES	CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O
WURCS	WURCS=2.0/1,1,0/[a2112h-1b_1-5_2*NCC/3=O]/1/
InChI	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	OVRNDRQMDRJTHS-JAJWTYFOSA-N

Roles Classification

Biological Roles:

epitope The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.

mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.

mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

ChEBI Ontology

Outgoing Relation(s)
	N-acetyl-β-D-galactosamine (CHEBI:28497) has role epitope (CHEBI:53000)
	N-acetyl-β-D-galactosamine (CHEBI:28497) is a N-acetyl-D-galactosamine (CHEBI:28037)
Incoming Relation(s)
	N-acetyl-β-D-galactosamine 4-sulfate (CHEBI:44391) has functional parent N-acetyl-β-D-galactosamine (CHEBI:28497)
	1β-glutathionylseleno-N-acetyl-D-galactosamine (CHEBI:77008) has functional parent N-acetyl-β-D-galactosamine (CHEBI:28497)
	β-D-Galp-(1→4)-β-D-GalpNAc (CHEBI:147984) has functional parent N-acetyl-β-D-galactosamine (CHEBI:28497)
	β-D-Galp-(1→6)-β-D-GalpNAc (CHEBI:153119) has functional parent N-acetyl-β-D-galactosamine (CHEBI:28497)
	β-D-GalpNAc-(1→4)-D-GalpNAc (CHEBI:153088) has functional parent N-acetyl-β-D-galactosamine (CHEBI:28497)
	β-D-GalpNAc-(1→4)-β-D-Galp (CHEBI:150295) has functional parent N-acetyl-β-D-galactosamine (CHEBI:28497)
	β-D-GalpNAc-(1→4)-β-D-GalpNAc (CHEBI:149012) has functional parent N-acetyl-β-D-galactosamine (CHEBI:28497)
	β-D-GalpNAc-(1→4)-β-D-Glcp (CHEBI:149146) has functional parent N-acetyl-β-D-galactosamine (CHEBI:28497)
	β-D-GalpNAc-(1→6)-D-Galp (CHEBI:150781) has functional parent N-acetyl-β-D-galactosamine (CHEBI:28497)
	β-D-GalpNAc-(1→6)-D-GalpNAc (CHEBI:150173) has functional parent N-acetyl-β-D-galactosamine (CHEBI:28497)
	β-D-GalpNAc-(1→6)-α-D-GalpNAc (CHEBI:152542) has functional parent N-acetyl-β-D-galactosamine (CHEBI:28497)
	β-D-GlcpNAc-(1→3)-β-D-GalpNAc (CHEBI:153935) has functional parent N-acetyl-β-D-galactosamine (CHEBI:28497)
	β-D-GlcpNAc-(1→6)-β-D-GalpNAc (CHEBI:148646) has functional parent N-acetyl-β-D-galactosamine (CHEBI:28497)
	N-acetyl-β-D-galactosaminyl group (CHEBI:17806) is substituent group from N-acetyl-β-D-galactosamine (CHEBI:28497)

IUPAC Name
2-acetamido-2-deoxy-β-D-galactopyranose

Synonyms	Source
N-Acetyl-beta-D-galactosamine	KEGG COMPOUND
N-acetyl-beta-D-galactosamine	ChEBI
2-acetamido-2-deoxy-β-D-galactopyranoside	ChEBI
bGalNAc	ChEBI
β-GalNAc	ChEBI
2-(acetylamino)-2-deoxy-β-D-galactopyranose	ChEBI

UniProt Name	Source
N-acetyl-β-D-galactosamine	UniProt

Manual Xrefs	Databases
C05021	KEGG COMPOUND
C05021	KEGG COMPOUND
NGA	PDBeChem
CPD-12557	MetaCyc
HMDB0000853	HMDB
G61418DU	GlyTouCan
G61418DU	GlyGen

Registry Numbers	Sources
Reaxys:1728373	Reaxys
CAS:1811-31-0	ChemIDplus

Citations