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CHEBI:147175 - β-D-GlcpNAc-(1→3)-[β-D-GlcpNAc-(1→6)]-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc

ChEBI IDCHEBI:147175
ChEBI Nameβ-D-GlcpNAc-(1→3)-[β-D-GlcpNAc-(1→6)]-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc
Stars
ASCII Namebeta-D-GlcpNAc-(1->3)-[beta-D-GlcpNAc-(1->6)]-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc
DefinitionAn aminotetrasaccharide consisting of three molecules of 2-acetamido-2-deoxy-β-D-glucopyranose joined in sequence by (1→3) and (1→4) glycosidic bonds in which the non-terminal group has been glycosylated at the 6-hydroxy group by fourth 2-acetamido-2-deoxy-β-D-glucopyranose moiety.
Last Modified17 April 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC32H54N4O21
Net Charge0
Average Mass830.791
Monoisotopic Mass830.32805
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1O
WURCSWURCS=2.0/1,4,3/[a2122h-1b_1-5_2*NCC/3=O]/1-1-1-1/a4-b1_b3-c1_b6-d1
InChIInChI=1S/C32H54N4O21/c1-9(40)33-17-26(49)27(15(7-39)52-29(17)50)56-32-20(36-12(4)43)28(57-31-19(35-11(3)42)25(48)22(45)14(6-38)54-31)23(46)16(55-32)8-51-30-18(34-10(2)41)24(47)21(44)13(5-37)53-30/h13-32,37-39,44-50H,5-8H2,1-4H3,(H,33,40)(H,34,41)(H,35,42)(H,36,43)/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31+,32+/m1/s1
InChIKeyIOFSODMUARAYGK-XHVHYUDBSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-GlcpNAc-(1→3)-[β-D-GlcpNAc-(1→6)]-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc (CHEBI:147175) is a acetamides (CHEBI:22160)
β-D-GlcpNAc-(1→3)-[β-D-GlcpNAc-(1→6)]-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc (CHEBI:147175) is a amino tetrasaccharide (CHEBI:59412)
IUPAC Names 
GlcNAc(b1-3)[GlcNAc(b1-6)]GlcNAc(b1-4)b-GlcNAc
2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-[2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→6)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranose
Synonyms  Source
2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1→3)-[2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1→6)]-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-4-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxyoxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamideIUPAC
Manual XrefsDatabases
G07547GEGlyTouCan
G07547GEGlyGen