CHEBI:50672 - N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-α-D-glucosamine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-α-D-glucosamine
ChEBI ID CHEBI:50672
ChEBI ASCII Name N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-alpha-D-glucosamine
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C16H28N2O11
Net Charge 0
Average Mass 424.40040
Monoisotopic Mass 424.16931
InChI InChI=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
InChIKey CDOJPCSDOXYJJF-JSCVLIECSA-N
SMILES CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O
Roles Classification
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
(via N,N'-diacetylchitobiose )
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via N,N'-diacetylchitobiose )
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via N,N'-diacetylchitobiose )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-α-D-glucosamine (CHEBI:50672) has functional parent β-D-glucosaminyl-(1→4)-α-D-glucosamine (CHEBI:50676)
N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-α-D-glucosamine (CHEBI:50672) is a N,N'-diacetylchitobiose (CHEBI:28681)
Incoming α-D-Manp-(1→3)-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-α-D-GlcpNAc (CHEBI:145618) has functional parent N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-α-D-glucosamine (CHEBI:50672)
β-D-GclpNAc-(1→4)-[α-L-Fucp-(1→6)]-α-D-GclpNAc (CHEBI:148669) has functional parent N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-α-D-glucosamine (CHEBI:50672)
IUPAC Name
2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-2-deoxy-α-D-glucopyranose
Synonym Source
WURCS=2.0/2,2,1/[a2122h-1a_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O]/1-2/a4-b1 GlyTouCan
Manual Xrefs Databases
G05026ZL GlyTouCan
G05026ZL GlyGen
View more database links
Registry Number Type Source
1443243 Beilstein Registry Number Beilstein
Last Modified
07 April 2021