EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:157082 - β-D-Galp-(1→3)-α-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc

ChEBI IDCHEBI:157082
ChEBI Nameβ-D-Galp-(1→3)-α-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc
Stars
ASCII Namebeta-D-Galp-(1->3)-alpha-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc
DefinitionA linear amino tetrasaccharide consisting of β-D-galactosyl, N-acetyl-α-D-glucosaminyl, β-D-galactosyl and N-acetyl-α-D-glucosamine residues linked glycosidically in a (1→3), (1→3) and (1→4) sequence.
Last Modified17 November 2021
SubmitterGareth Owen
DownloadsMolfile
FormulaC28H48N2O21
Net Charge0
Average Mass748.685
Monoisotopic Mass748.27496
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]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@@H](CO)O[C@H]1O
WURCSWURCS=2.0/3,4,3/[a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1a_1-5_2*NCC/3=O]/1-2-3-2/a4-b1_b3-c1_c3-d1
InChIInChI=1S/C28H48N2O21/c1-7(35)29-13-18(40)22(12(6-34)45-25(13)44)49-28-21(43)24(17(39)11(5-33)48-28)51-26-14(30-8(2)36)23(16(38)10(4-32)46-26)50-27-20(42)19(41)15(37)9(3-31)47-27/h9-28,31-34,37-44H,3-6H2,1-2H3,(H,29,35)(H,30,36)/t9-,10-,11-,12-,13-,14-,15+,16-,17+,18-,19+,20-,21-,22-,23-,24+,25-,26-,27+,28+/m1/s1
InChIKeyMFWVYBSWTNAQKG-PXDPMCGNSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-Galp-(1→3)-α-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc (CHEBI:157082) is a amino tetrasaccharide (CHEBI:59412)
β-D-Galp-(1→3)-α-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc (CHEBI:157082) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
β-D-Galp-(1→3)-α-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc (CHEBI:157082) is a glucosamine oligosaccharide (CHEBI:22485)
IUPAC Name 
β-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-α-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranose
Synonyms  Source
beta-D-galacto-hexopyranosyl-(1→3)-2-acetamido-2-deoxy-alpha-D-gluco-hexopyranosyl-(1→3)-beta-D-galacto-hexopyranosyl-(1→4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranoseSUBMITTER
Gal(b1-3)GlcNAc(a1-3)Gal(b1-4)b-GlcNAcSUBMITTER
N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4R,5S,6R)-3-Acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamideChEBI
Galb1-3GlcNAca1-3Galb1-4GlcNAcbChEBI
Galβ1-3GlcNAcα1-3Galβ1-4GlcNAcβIUPAC
β-D-galactosyl-(1→3)-N-acetyl-α-D-glucosaminyl-(1→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosamineChEBI
Manual XrefsDatabases
G27290NPGlyTouCan
G27290NPGlyGen
Citations