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CHEBI:28037 - N-acetyl-D-galactosamine

Default Structure
ChEBI IDCHEBI:28037
ChEBI NameN-acetyl-D-galactosamine
Stars
ASCII NameN-acetyl-D-galactosamine
DefinitionThe D-enantiomer of N-acetylgalactosamine.
Secondary ChEBI IDsCHEBI:7110, CHEBI:21502, CHEBI:546804
Last Modified7 April 2021
DownloadsMolfile
FormulaC8H15NO6
Net Charge0
Average Mass221.209
Monoisotopic Mass221.08994
SMILESCC(=O)N[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O
WURCSWURCS=2.0/1,1,0/[a2112h-1x_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-KEWYIRBNSA-N
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
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).
ChEBI Ontology
Outgoing Relation(s)
N-acetyl-D-galactosamine (CHEBI:28037) has role Escherichia coli metabolite (CHEBI:76971)
N-acetyl-D-galactosamine (CHEBI:28037) has role human metabolite (CHEBI:77746)
N-acetyl-D-galactosamine (CHEBI:28037) has role mouse metabolite (CHEBI:75771)
N-acetyl-D-galactosamine (CHEBI:28037) is a N-acetyl-D-hexosamine (CHEBI:21601)
N-acetyl-D-galactosamine (CHEBI:28037) is a N-acetylgalactosamine (CHEBI:28800)
Incoming Relation(s)
N-acetyl-D-galactosamine 6-sulfate (CHEBI:28447) has functional parent N-acetyl-D-galactosamine (CHEBI:28037)
N-acetyl-D-galactosamine-6-phosphocholine (CHEBI:59317) has functional parent N-acetyl-D-galactosamine (CHEBI:28037)
D-GlcpNAc-(?1→6)-D-GalpNAc (CHEBI:150296) has functional parent N-acetyl-D-galactosamine (CHEBI:28037)
α-D-GalpNAc-(1→6)-D-GalpNAc (CHEBI:148702) has functional parent N-acetyl-D-galactosamine (CHEBI:28037)
α-L-IdopA2S-(1→3)-D-GalpNAc (CHEBI:149013) has functional parent N-acetyl-D-galactosamine (CHEBI:28037)
β-D-Galp-(1→6)-D-GalpNAc (CHEBI:148968) has functional parent N-acetyl-D-galactosamine (CHEBI:28037)
β-D-GalpNAc-(1→4)-D-GalpNAc (CHEBI:153088) has functional parent N-acetyl-D-galactosamine (CHEBI:28037)
β-D-GalpNAc-(1→6)-D-GalpNAc (CHEBI:150173) has functional parent N-acetyl-D-galactosamine (CHEBI:28037)
β-D-GlcpNAc-(1→3)-D-GalpNAc (CHEBI:154375) has functional parent N-acetyl-D-galactosamine (CHEBI:28037)
β-L-Galp-(1→6)-D-GalpNAc (CHEBI:146536) has functional parent N-acetyl-D-galactosamine (CHEBI:28037)
N-acetyl-α-D-galactosamine (CHEBI:40356) is a N-acetyl-D-galactosamine (CHEBI:28037)
N-acetyl-β-D-galactosamine (CHEBI:28497) is a N-acetyl-D-galactosamine (CHEBI:28037)
IUPAC Name 
2-acetamido-2-deoxy-D-galactopyranose
Synonyms  Source
2-Acetamido-2-deoxy-D-galactoseKEGG COMPOUND
GalNAcChEBI
N-Acetyl-D-chondrosamineKEGG COMPOUND
N-Acetyl-D-galactosamineKEGG COMPOUND
D-GalNAcChEBI
UniProt Name  Source
N-acetyl-D-galactosamineUniProt
Manual XrefsDatabases
C01132KEGG COMPOUND
G27025MBGlyGen
G27025MBGlyTouCan
Registry NumbersSources
Reaxys:1429037Reaxys
CAS:14215-68-0KEGG COMPOUND
CAS:14215-68-0ChemIDplus
CAS:1811-31-0ChemIDplus
CAS:1811-31-0KEGG COMPOUND
Citations