EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:147136 - α-D-GlcpNAc-(1→4)-β-D-GlcpNAc

ChEBI IDCHEBI:147136
ChEBI Nameα-D-GlcpNAc-(1→4)-β-D-GlcpNAc
Stars
ASCII Namealpha-D-GlcpNAc-(1->4)-beta-D-GlcpNAc
DefinitionAn α-D-GlcpNAc-(1→4)-D-GlcpNAc in which the carbon bearing the anomeric hydroxy group has β configuration.
Last Modified5 August 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC16H28N2O11
Net Charge0
Average Mass424.403
Monoisotopic Mass424.16931
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1O
WURCSWURCS=2.0/2,2,1/[a2122h-1b_1-5_2*NCC/3=O][a2122h-1a_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-MVGRPQHISA-N
ChEBI Ontology
Outgoing Relation(s)
α-D-GlcpNAc-(1→4)-β-D-GlcpNAc (CHEBI:147136) is a α-D-GlcpNAc-(1→4)-D-GlcpNAc (CHEBI:154293)
Incoming Relation(s)
α-D-Manp-(1→3)-α-D-GlcpNAc-(1→4)-β-D-GlcpNAc (CHEBI:147998) has functional parent α-D-GlcpNAc-(1→4)-β-D-GlcpNAc (CHEBI:147136)
IUPAC Names 
GlcNAc(a1-4)b-GlcNAc
2-acetamido-2-deoxy-α-D-gluco-hexopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-gluco-hexopyranose
2-acetamido-2-deoxy-α-D-glucopyranosyl-(1→4)-2-acetamido-O-2-deoxy-β-D-glucopyranose
2-acetamido-4-O-(2-acetamido-2-deoxy-α-D-glucopyranosyl)-2-deoxy-β-D-glucopyranose
Synonym  Source
N-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamideIUPAC
Manual XrefsDatabases
G07375KGGlyTouCan
G07375KGGlyGen