EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:146092 - β-D-Galp-(1→4)-β-D-GlcpNAc-(1→4)-[β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)]-D-Galp

ChEBI IDCHEBI:146092
ChEBI Nameβ-D-Galp-(1→4)-β-D-GlcpNAc-(1→4)-[β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)]-D-Galp
Stars
ASCII Namebeta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->4)-[beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->6)]-D-Galp
DefinitionA branched amino pentasacccharide that is D-galactopyranose that has been glycosylated by 2-acetamido-β-D-galactopyranosyl-β-D-glucopyranosyl groups at positions 4 and 6.
Last Modified13 February 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC34H58N2O26
Net Charge0
Average Mass910.826
Monoisotopic Mass910.32778
SMILESCC(=O)N[C@H]1[C@H](OC[C@H]2OC(O)[C@H](O)[C@@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O
WURCSWURCS=2.0/3,5,4/[a2112h-1x_1-5][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2-3-2-3/a4-b1_a6-d1_b4-c1_d4-e1
InChIInChI=1S/C34H58N2O26/c1-8(41)35-15-19(45)27(61-33-25(51)21(47)17(43)10(3-37)56-33)12(5-39)58-31(15)54-7-14-29(23(49)24(50)30(53)55-14)60-32-16(36-9(2)42)20(46)28(13(6-40)59-32)62-34-26(52)22(48)18(44)11(4-38)57-34/h10-34,37-40,43-53H,3-7H2,1-2H3,(H,35,41)(H,36,42)/t10-,11-,12-,13-,14-,15-,16-,17+,18+,19-,20-,21+,22+,23-,24-,25-,26-,27-,28-,29+,30?,31-,32+,33+,34+/m1/s1
InChIKeyWQJWJADRYWBXIG-GUUSEXBFSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-Galp-(1→4)-β-D-GlcpNAc-(1→4)-[β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)]-D-Galp (CHEBI:146092) is a amino pentasaccharide (CHEBI:59268)
IUPAC Names 
Gal(b1-4)GlcNAc(b1-4)[Gal(b1-4)GlcNAc(b1-6)]Gal
β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-[β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→6)]-D-galactopyranose
Synonyms  Source
β-D-galacto-hexopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1→4)-[β-D-galacto-hexopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1→6)]-D-galacto-hexopyranoseIUPAC
N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4R,5R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5,6-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamideIUPAC
Manual XrefsDatabases
G00631XZGlyTouCan
G12323KEGG GLYCAN
G00631XZGlyGen