CHEBI:40356 - N-acetyl-α-D-galactosamine

ChEBI IDCHEBI:40356
ChEBI NameN-acetyl-α-D-galactosamine
Stars
ASCII NameN-acetyl-alpha-D-galactosamine
DefinitionAn N-acetyl-D-galactosamine having α-configuration at the anomeric centre.
Last Modified17 November 2021
DownloadsMolfile
FormulaC8H15NO6
Net Charge0
Average Mass221.209
Monoisotopic Mass221.08994
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1O
WURCSWURCS=2.0/1,1,0/[a2112h-1a_1-5_2*NCC/3=O]/1/
InChIInChI=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
InChIKeyOVRNDRQMDRJTHS-CBQIKETKSA-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.
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).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
N-acetyl-α-D-galactosamine (CHEBI:40356) has functional parent α-D-galactosamine (CHEBI:148869)
N-acetyl-α-D-galactosamine (CHEBI:40356) has role epitope (CHEBI:53000)
N-acetyl-α-D-galactosamine (CHEBI:40356) is a N-acetyl-D-galactosamine (CHEBI:28037)
Incoming Relation(s)
N-acetyl-α-neuraminyl-(2→6)-N-acetyl-α-D-galactosamine (CHEBI:61818) has functional parent N-acetyl-α-D-galactosamine (CHEBI:40356)
2-acetamido-2-deoxy-α-D-Galp-(1→3)-2-acetamido-2-deoxy-D-Gal-OH (CHEBI:147876) has functional parent N-acetyl-α-D-galactosamine (CHEBI:40356)
α-D-GalpNAc-(1→3)-D-GlcpNAc (CHEBI:148388) has functional parent N-acetyl-α-D-galactosamine (CHEBI:40356)
α-D-GalpNAc-(1→3)-α-D-Galp (CHEBI:146643) has functional parent N-acetyl-α-D-galactosamine (CHEBI:40356)
α-D-GalpNAc-(1→6)-D-Galp (CHEBI:148285) has functional parent N-acetyl-α-D-galactosamine (CHEBI:40356)
α-D-GalpNAc-(1→6)-D-GalpNAc (CHEBI:148702) has functional parent N-acetyl-α-D-galactosamine (CHEBI:40356)
α-D-Glcp-(1→3)-α-D-GalpNAc (CHEBI:148178) has functional parent N-acetyl-α-D-galactosamine (CHEBI:40356)
β-D-Galp-(1→6)-α-D-GalpNAc (CHEBI:150906) has functional parent N-acetyl-α-D-galactosamine (CHEBI:40356)
β-D-GalpNAc-(1→6)-α-D-GalpNAc (CHEBI:152542) has functional parent N-acetyl-α-D-galactosamine (CHEBI:40356)
β-D-Glcp-(1→3)-α-D-GalpNAc (CHEBI:146727) has functional parent N-acetyl-α-D-galactosamine (CHEBI:40356)
N-acetyl-α-D-galactosaminyl group (CHEBI:88142) is substituent group from N-acetyl-α-D-galactosamine (CHEBI:40356)
IUPAC Name 
2-acetamido-2-deoxy-α-D-galactopyranose
Synonyms  Source
2-(acetylamino)-2-deoxy-alpha-D-galactopyranoseChemIDplus
TN saccharide componentChEBI
TN saccharideChEBI
TN antigen saccharide componentChEBI
TN antigen saccharideChEBI
Tn antigen saccharideChEBI
UniProt Name  Source
N-acetyl-α-D-galactosamineUniProt
Manual XrefsDatabases
US5527891Patent
EP0788504Patent
CPD-3604MetaCyc
G57321FIGlyTouCan
G57321FIGlyGen
Registry NumbersSources
Reaxys:1429040Reaxys
CAS:14215-68-0ChemIDplus
Citations