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CHEBI:156732 - β-D-Xylf-(1→2)-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc

ChEBI IDCHEBI:156732
ChEBI Nameβ-D-Xylf-(1→2)-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc
Stars
ASCII Namebeta-D-Xylf-(1->2)-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc
DefinitionAn amino tetrasaccharide consisting of a β-D-xylofuranose residue, a β-D-mannopyranose residue and two 2-acetamido-2-deoxy-β-D-glucopyranose residues joined in sequence by (1→2), (1→4) and (1→4) glycosidic bonds.
Last Modified4 November 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC27H46N2O20
Net Charge0
Average Mass718.659
Monoisotopic Mass718.26439
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O[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]3O[C@H](CO)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1O
WURCSWURCS=2.0/3,4,3/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a212h-1b_1-4]/1-1-2-3/a4-b1_b4-c1_c2-d1
InChIInChI=1S/C27H46N2O20/c1-7(34)28-13-17(38)21(11(5-32)43-24(13)42)47-25-14(29-8(2)35)18(39)22(12(6-33)46-25)48-27-23(19(40)15(36)9(3-30)45-27)49-26-20(41)16(37)10(4-31)44-26/h9-27,30-33,36-42H,3-6H2,1-2H3,(H,28,34)(H,29,35)/t9-,10-,11-,12-,13-,14-,15-,16+,17-,18-,19+,20-,21-,22-,23+,24-,25+,26+,27+/m1/s1
InChIKeyLVSAICFLQBUGIJ-ANGGMVASSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-Xylf-(1→2)-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc (CHEBI:156732) is a acetamides (CHEBI:22160)
β-D-Xylf-(1→2)-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc (CHEBI:156732) is a amino tetrasaccharide (CHEBI:59412)
IUPAC Names 
Xylf(b1-2)Man(b1-4)GlcNAc(b1-4)b-GlcNAc
β-D-xylofuranosyl-(1→2)-β-D-mannopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranose
Synonyms  Source
β-D-xylo-pentofuranosyl-(1→2)-β-D-manno-hexopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-gluco-hexopyranoseIUPAC
N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamideIUPAC
Manual XrefsDatabases
G81866HWGlyTouCan
G81866HWGlyGen