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CHEBI:147111 - β-D-GlcpNAc-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc-(1→4)-α-D-GlcpNAc-(1→4)-β-D-GlcpNAc

ChEBI IDCHEBI:147111
ChEBI Nameβ-D-GlcpNAc-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc-(1→4)-α-D-GlcpNAc-(1→4)-β-D-GlcpNAc
Stars
ASCII Namebeta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc-(1->4)-alpha-D-GlcpNAc-(1->4)-beta-D-GlcpNAc
DefinitionAn amino pentasaccharide consisting of three 2-acetamido-β-D-glucopyranose residues, a 2-acetamido-α-D-glucopyranose residue and a further 2-acetamido-β-D-glucopyranose residue joined in sequence by (1→4) glycosidic linkages.
Last Modified2 April 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC40H67N5O26
Net Charge0
Average Mass1033.985
Monoisotopic Mass1033.40743
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]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H]4NC(C)=O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1O
WURCSWURCS=2.0/2,5,4/[a2122h-1b_1-5_2*NCC/3=O][a2122h-1a_1-5_2*NCC/3=O]/1-2-1-1-1/a4-b1_b4-c1_c4-d1_d4-e1
InChIInChI=1S/C40H67N5O26/c1-11(51)41-21-28(58)32(17(7-47)63-36(21)62)68-38-23(43-13(3)53)30(60)34(19(9-49)65-38)70-40-25(45-15(5)55)31(61)35(20(10-50)67-40)71-39-24(44-14(4)54)29(59)33(18(8-48)66-39)69-37-22(42-12(2)52)27(57)26(56)16(6-46)64-37/h16-40,46-50,56-62H,6-10H2,1-5H3,(H,41,51)(H,42,52)(H,43,53)(H,44,54)(H,45,55)/t16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37+,38-,39+,40+/m1/s1
InChIKeyBZBKTWJIYTYFBH-BXRFPFJUSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-GlcpNAc-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc-(1→4)-α-D-GlcpNAc-(1→4)-β-D-GlcpNAc (CHEBI:147111) is a acetamides (CHEBI:22160)
β-D-GlcpNAc-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc-(1→4)-α-D-GlcpNAc-(1→4)-β-D-GlcpNAc (CHEBI:147111) is a amino pentasaccharide (CHEBI:59268)
IUPAC Name 
GlcNAc(b1-4)GlcNAc(b1-4)GlcNAc(b1-4)GlcNAc(a1-4)b-GlcNAc
Synonyms  Source
2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1→4)-2-acetamido-2-deoxy-α-D-gluco-hexopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-gluco-hexopyranoseIUPAC
N-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-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
G10234TFGlyTouCan
G10234TFGlyGen