N-acetyl-D-galactosamine (CHEBI:28037)

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CHEBI:28037 - N-acetyl-D-galactosamine

ChEBI ID	CHEBI:28037
ChEBI Name	N-acetyl-D-galactosamine
Stars
ASCII Name	N-acetyl-D-galactosamine
Definition	The D-enantiomer of N-acetylgalactosamine.
Secondary ChEBI IDs	CHEBI:7110, CHEBI:21502, CHEBI:546804
Last Modified	7 April 2021
Downloads	Molfile

Formula	C8H15NO6
Net Charge	0
Average Mass	221.209
Monoisotopic Mass	221.08994
SMILES	CC(=O)N[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O
WURCS	WURCS=2.0/1,1,0/[a2112h-1x_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-KEWYIRBNSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	-	DOI (10.1038/nbt.2488)
Escherichia coli (ncbitaxon:562)	-	PubMed (21988831)
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).

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
N-Acetyl-D-galactosamine	KEGG COMPOUND
N-Acetyl-D-chondrosamine	KEGG COMPOUND
2-Acetamido-2-deoxy-D-galactose	KEGG COMPOUND
GalNAc	ChEBI
D-GalNAc	ChEBI

UniProt Name	Source
N-acetyl-D-galactosamine	UniProt

Manual Xrefs	Databases
C01132	KEGG COMPOUND
G27025MB	GlyTouCan
G27025MB	GlyGen

Registry Numbers	Sources
Reaxys:1429037	Reaxys
CAS:14215-68-0	ChemIDplus
CAS:1811-31-0	ChemIDplus
CAS:14215-68-0	KEGG COMPOUND
CAS:1811-31-0	KEGG COMPOUND

Citations