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CHEBI:147538 - β-D-ManpNAc-(1→4)-β-D-Glcp-(1→4)-β-D-Glcp

ChEBI IDCHEBI:147538
ChEBI Nameβ-D-ManpNAc-(1→4)-β-D-Glcp-(1→4)-β-D-Glcp
Stars
ASCII Namebeta-D-ManpNAc-(1->4)-beta-D-Glcp-(1->4)-beta-D-Glcp
DefinitionAn amino trisaccharide consisting of a 2-acetamido-2-deoxy-β-D-mannopyranose residue and two β-D=glucopyranose residues joined in sequence by (1→4) glycosidic bonds.
Last Modified18 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](O)[C@H](O)O[C@@H]3CO)O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/2,3,2/[a2122h-1b_1-5][a1122h-1b_1-5_2*NCC/3=O]/1-1-2/a4-b1_b4-c1
InChIInChI=1S/C20H35NO16/c1-5(25)21-9-11(27)10(26)6(2-22)34-19(9)36-17-8(4-24)35-20(15(31)13(17)29)37-16-7(3-23)33-18(32)14(30)12(16)28/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
InChIKeyXGWWPIOYXPTSBV-OITFYWQWSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-ManpNAc-(1→4)-β-D-Glcp-(1→4)-β-D-Glcp (CHEBI:147538) has functional parent β-cellobiose (CHEBI:36217)
β-D-ManpNAc-(1→4)-β-D-Glcp-(1→4)-β-D-Glcp (CHEBI:147538) is a acetamides (CHEBI:22160)
β-D-ManpNAc-(1→4)-β-D-Glcp-(1→4)-β-D-Glcp (CHEBI:147538) is a amino trisaccharide (CHEBI:59266)
IUPAC Names 
ManNAc(b1-4)Glc(b1-4)b-Glc
2-acetamido-2-deoxy-β-D-mannopyranosyl-(1→4)-β-D-glucopyranosyl-(1→4)-β-D-glucopyranose
Synonyms  Source
2-acetamido-2-deoxy-β-D-manno-hexopyranosyl-(1→4)-β-D-gluco-hexopyranosyl-(1→4)-β-D-gluco-hexopyranoseIUPAC
N-[(2S,3S,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamideIUPAC
Manual XrefsDatabases
G17032OAGlyTouCan