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CHEBI:28681 - N,N'-diacetylchitobiose

ChEBI IDCHEBI:28681
ChEBI NameN,N'-diacetylchitobiose
Stars
ASCII NameN,N'-diacetylchitobiose
DefinitionThe N,N'-diacetylated derivative of chitobiose, but with no stereodesignation for the anomeric carbon atom.
Secondary ChEBI IDsCHEBI:3597, CHEBI:701011
Last Modified15 February 2022
DownloadsMolfile
FormulaC16H28N2O11
Net Charge0
Average Mass424.403
Monoisotopic Mass424.16931
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/2,2,1/[a2122h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O]/1-2/a4-b1
InChIInChI=1S/C16H28N2O11/c1-5(21)17-9-13(25)14(8(4-20)27-15(9)26)29-16-10(18-6(2)22)12(24)11(23)7(3-19)28-16/h7-16,19-20,23-26H,3-4H2,1-2H3,(H,17,21)(H,18,22)/t7-,8-,9-,10-,11-,12-,13-,14-,15?,16+/m1/s1
InChIKeyCDOJPCSDOXYJJF-CBTAGEKQSA-N
Species of MetaboliteComponentSourceComments
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:
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.
ChEBI Ontology
Outgoing Relation(s)
N,N'-diacetylchitobiose (CHEBI:28681) has functional parent β-D-glucosaminyl-(1→4)-D-glucosamine (CHEBI:50675)
N,N'-diacetylchitobiose (CHEBI:28681) has role Escherichia coli metabolite (CHEBI:76971)
N,N'-diacetylchitobiose (CHEBI:28681) has role human metabolite (CHEBI:77746)
N,N'-diacetylchitobiose (CHEBI:28681) has role mouse metabolite (CHEBI:75771)
N,N'-diacetylchitobiose (CHEBI:28681) is a N,N'-diacetylchitobioses (CHEBI:23101)
Incoming Relation(s)
N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-α-D-glucosamine (CHEBI:50672) is a N,N'-diacetylchitobiose (CHEBI:28681)
N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-β-D-glucosamine (CHEBI:50670) is a N,N'-diacetylchitobiose (CHEBI:28681)
IUPAC Name 
2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-2-deoxy-D-glucopyranose
Synonyms  Source
ChitobioseKEGG COMPOUND
DiacetylchitobioseKEGG COMPOUND
N,N'-DiacetylchitobioseKEGG COMPOUND
UniProt Name  Source
N,N'-diacetylchitobioseUniProt
Manual XrefsDatabases
C01674KEGG COMPOUND
G10336KEGG GLYCAN
G07982ROGlyTouCan
G07982ROGlyGen
Registry NumbersSources
Beilstein:1443239Beilstein
CAS:35061-50-8KEGG COMPOUND
Citations