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CHEBI:148427 - β-D-GlcpNAc-(1→4)-β-D-Glcp-(1→3)-D-Glcp

ChEBI IDCHEBI:148427
ChEBI Nameβ-D-GlcpNAc-(1→4)-β-D-Glcp-(1→3)-D-Glcp
Stars
ASCII Namebeta-D-GlcpNAc-(1->4)-beta-D-Glcp-(1->3)-D-Glcp
DefinitionAn amino trisaccharide consisting of 2-acetamido-2-deoxy-β-D-glucopyranose, β-D-glucopyranose, and D-glucopyranose residues joined in sequence by (1→4) and (1→3) glycosidic bonds.
Last Modified19 May 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC20H35NO16
Net Charge0
Average Mass545.491
Monoisotopic Mass545.19558
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](CO)OC(O)[C@@H]3O)O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/3,3,2/[a2122h-1x_1-5][a2122h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3/a3-b1_b4-c1
InChIInChI=1S/C20H35NO16/c1-5(25)21-9-12(28)10(26)6(2-22)34-19(9)36-16-8(4-24)35-20(14(30)13(16)29)37-17-11(27)7(3-23)33-18(32)15(17)31/h6-20,22-24,26-32H,2-4H2,1H3,(H,21,25)/t6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17+,18?,19+,20+/m1/s1
InChIKeyQIYTVETVXJSOTP-BTBMAGFNSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-GlcpNAc-(1→4)-β-D-Glcp-(1→3)-D-Glcp (CHEBI:148427) has functional parent laminarabiose (CHEBI:18411)
β-D-GlcpNAc-(1→4)-β-D-Glcp-(1→3)-D-Glcp (CHEBI:148427) is a acetamides (CHEBI:22160)
β-D-GlcpNAc-(1→4)-β-D-Glcp-(1→3)-D-Glcp (CHEBI:148427) is a amino trisaccharide (CHEBI:59266)
IUPAC Names 
GlcNAc(b1-4)Glc(b1-3)Glc
2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-β-D-glucopyranosyl-(1→3)-D-glucopyranose
Synonyms  Source
2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1→4)-β-D-gluco-hexopyranosyl-(1→3)-D-gluco-hexopyranoseIUPAC
N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(3R,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamideIUPAC
Manual XrefsDatabases
G22447KVGlyTouCan
G09343KEGG GLYCAN