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CHEBI:146948 - β-D-Galp-(1→4)-α-D-GlcpNAc-(1→2)-[β-D-Galp-(1→4)-β-D-GlcpNAc(1→4)]-D-Manp

ChEBI IDCHEBI:146948
ChEBI Nameβ-D-Galp-(1→4)-α-D-GlcpNAc-(1→2)-[β-D-Galp-(1→4)-β-D-GlcpNAc(1→4)]-D-Manp
Stars
ASCII Namebeta-D-Galp-(1->4)-alpha-D-GlcpNAc-(1->2)-[beta-D-Galp-(1->4)-beta-D-GlcpNAc(1->4)]-D-Manp
DefinitionAn amino pentasaccharide that is D-mannopyranose in which the hydroxy group at positions 2 and 4 have been converted to the β-D-galactopyranosyl-(1→4)-2-acetamido-α-D-glucopyranoside and the β-D-galactopyranosyl-(1→4)-2-acetamido-β-D-glucopyranoside respectively.
Last Modified3 April 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC34H58N2O26
Net Charge0
Average Mass910.826
Monoisotopic Mass910.32778
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)C(O)O[C@@H]2CO)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=2.0/4,5,4/[a1122h-1x_1-5][a2122h-1a_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-4-3/a2-b1_a4-d1_b4-c1_d4-e1
InChIInChI=1S/C34H58N2O26/c1-8(42)35-15-19(46)26(60-33-23(50)21(48)17(44)10(3-37)55-33)13(6-40)57-31(15)59-28-12(5-39)54-30(53)29(25(28)52)62-32-16(36-9(2)43)20(47)27(14(7-41)58-32)61-34-24(51)22(49)18(45)11(4-38)56-34/h10-34,37-41,44-53H,3-7H2,1-2H3,(H,35,42)(H,36,43)/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
InChIKeyBENMBGLXVSAERF-TZDZKXOGSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-Galp-(1→4)-α-D-GlcpNAc-(1→2)-[β-D-Galp-(1→4)-β-D-GlcpNAc(1→4)]-D-Manp (CHEBI:146948) is a acetamides (CHEBI:22160)
β-D-Galp-(1→4)-α-D-GlcpNAc-(1→2)-[β-D-Galp-(1→4)-β-D-GlcpNAc(1→4)]-D-Manp (CHEBI:146948) is a amino pentasaccharide (CHEBI:59268)
IUPAC Names 
Gal(b1-4)GlcNAc(a1-2)[Gal(b1-4)GlcNAc(b1-4)]Man
β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-α-D-glucopyranosyl-(1→2)-[β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)]-D-mannopyranose
Synonyms  Source
β-D-galacto-hexopyranosyl-(1→4)-2-acetamido-2-deoxy-α-D-gluco-hexopyranosyl-(1→2)-[β-D-galacto-hexopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1→4)]-D-manno-hexopyranoseIUPAC
N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S)-5-[(2R,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-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-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
G09225SFGlyTouCan
G07209KEGG GLYCAN
G09225SFGlyGen