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CHEBI:155918 - β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-Glcp-(1→6)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)]-β-D-GlcpNAc

ChEBI IDCHEBI:155918
ChEBI Nameβ-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-Glcp-(1→6)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)]-β-D-GlcpNAc
Stars
ASCII Namebeta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1->6)-[alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)]-beta-D-GlcpNAc
DefinitionA branched amino hexasaccharide consisting of a D-glucose residue which carries an N-acetyl-β-D-glucosaminyl-(1→3)-α-D-galactosyl-(1→4)-β-D-glucosyl unit linked (1→6) and an N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl unit linked (1→4).
Last Modified25 June 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC45H75N3O34
Net Charge0
Average Mass1202.082
Monoisotopic Mass1201.42320
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]3CO[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O)[C@H]3O)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C45H75N3O34/c1-11(54)46-21-14(57)4-45(44(70)71,81-36(21)24(59)15(58)5-49)82-38-27(62)18(8-52)76-43(33(38)68)79-35-20(73-39(69)22(29(35)64)47-12(2)55)10-72-41-31(66)30(65)34(19(9-53)77-41)78-42-32(67)37(26(61)17(7-51)75-42)80-40-23(48-13(3)56)28(63)25(60)16(6-50)74-40/h14-43,49-53,57-69H,4-10H2,1-3H3,(H,46,54)(H,47,55)(H,48,56)(H,70,71)/t14-,15+,16+,17+,18+,19+,20+,21+,22+,23+,24+,25+,26-,27-,28+,29+,30+,31+,32+,33+,34+,35+,36+,37-,38-,39+,40-,41+,42-,43-,45-/m0/s1
InChIKeyNHUSOSUSWUAGGE-SMYMKWGLSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-Glcp-(1→6)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)]-β-D-GlcpNAc (CHEBI:155918) is a amino hexasaccharide (CHEBI:61855)
Incoming Relation(s)
β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-Glcp-(1→6)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)]-β-D-GlcpNAcO[CH2]3NH2 (CHEBI:155917) has functional parent β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-Glcp-(1→6)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)]-β-D-GlcpNAc (CHEBI:155918)
IUPAC Name 
2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-β-D-glucopyranosyl-(1→6)-[5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)]-2-acetamido-2-deoxy-β-D-glucopyranose
Synonyms  Source
N-acetyl-β-D-glucosaminyl-(1→3)-β-D-galactosyl-(1→4)-β-D-glucosyl-(1→6)-[N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)]-N-acetyl-β-D-glucoseChEBI
β-D-GlcNAc-(1→3)-β-D-Gal-(1→4)-β-D-Glc-(1→6)-[α-Neu5Ac-(2→3)-β-D-Gal-(1→4)]-β-D-GlcNAcChEBI
GlcNAcβ1-3Galβ1-4Glcβ1-6(Neu5Acα2-3Galβ1-4)GlcNAcβChEBI
Citations