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CHEBI:149033 - β-D-GlcpNAc-(1→3)-β-D-Galp-(1→3)-β-D-GlcpNAc-(1→3)--D-GalpNAc

ChEBI IDCHEBI:149033
ChEBI Nameβ-D-GlcpNAc-(1→3)-β-D-Galp-(1→3)-β-D-GlcpNAc-(1→3)--D-GalpNAc
Stars
ASCII Namebeta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->3)--D-GalpNAc
DefinitionAn aminotetrasaccharide consisting of 2-acetamido-β-D-glucopyranose, β-D-galactopyranose, 2-acetamido-β-D-glucopyranose and 2-acetamido-D-galactopyranose residues joined in sequence by (1→3) glycosidic linkages.
Last Modified10 April 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC30H51N3O21
Net Charge0
Average Mass789.738
Monoisotopic Mass789.30151
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@@H](O)[C@@H](CO)OC(O)[C@@H]4NC(C)=O)[C@@H]3NC(C)=O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/3,4,3/[a2112h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2-3-2/a3-b1_b3-c1_c3-d1
InChIInChI=1S/C30H51N3O21/c1-8(38)31-15-22(45)18(41)11(4-34)49-28(15)54-26-21(44)14(7-37)51-30(23(26)46)53-25-17(33-10(3)40)29(50-13(6-36)20(25)43)52-24-16(32-9(2)39)27(47)48-12(5-35)19(24)42/h11-30,34-37,41-47H,4-7H2,1-3H3,(H,31,38)(H,32,39)(H,33,40)/t11-,12-,13-,14-,15-,16-,17-,18-,19+,20-,21+,22-,23-,24-,25-,26+,27?,28+,29+,30+/m1/s1
InChIKeyWBXXNILQZRQNEU-QQJJXPQZSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-GlcpNAc-(1→3)-β-D-Galp-(1→3)-β-D-GlcpNAc-(1→3)--D-GalpNAc (CHEBI:149033) is a acetamides (CHEBI:22160)
β-D-GlcpNAc-(1→3)-β-D-Galp-(1→3)-β-D-GlcpNAc-(1→3)--D-GalpNAc (CHEBI:149033) is a amino tetrasaccharide (CHEBI:59412)
IUPAC Names 
GlcNAc(b1-3)Gal(b1-3)GlcNAc(b1-3)GalNAc
2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-2-acetamido-2-deoxy-D-galactopyranose
Synonyms  Source
2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1→3)-β-D-galacto-hexopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1→3)-2-acetamido-2-deoxy-D-galacto-hexopyranoseIUPAC
N-[(2S,3R,4R,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5S,6R)-3-acetamido-2-[(3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamideIUPAC
Manual XrefsDatabases
G30697FMGlyTouCan
G30697FMGlyGen