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CHEBI:145703 - β-D-Galp6N+-(1→4)-[β-D-Galp-(1→4)-β-D-Glcp-(1→6)]-β-D-GlcpNAc-OMe

Default Structure
ChEBI IDCHEBI:145703
ChEBI Nameβ-D-Galp6N+-(1→4)-[β-D-Galp-(1→4)-β-D-Glcp-(1→6)]-β-D-GlcpNAc-OMe
Stars
ASCII Namebeta-D-Galp6N(+)-(1->4)-[beta-D-Galp-(1->4)-beta-D-Glcp-(1->6)]-beta-D-GlcpNAc-OMe
DefinitionA methyl glycoside that is β-D-Gal-(1→4)-[β-D-Gal-(1→4)-β-D-Glc-(1→6)]-β-D-GlcNAc in which the hydroxy group at position 6 of the galactose residue linked to O-4 of the reducing end glucosyl residue is replaced by an ammoniumyl group and the hydroxy group at the reducing-end anomeric centre is methylated.
Last Modified18 December 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC27H49N2O20
Net Charge+1
Average Mass721.683
Monoisotopic Mass721.28732
SMILESCO[C@@H]1O[C@H](CO[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](O)[C@H]2O)[C@@H](O[C@@H]2O[C@H](C[NH3+])[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C27H48N2O20/c1-7(32)29-12-15(35)23(49-26-19(39)16(36)13(33)8(3-28)44-26)11(47-24(12)42-2)6-43-25-21(41)18(38)22(10(5-31)46-25)48-27-20(40)17(37)14(34)9(4-30)45-27/h8-27,30-31,33-41H,3-6,28H2,1-2H3,(H,29,32)/p+1/t8-,9-,10-,11-,12-,13+,14+,15-,16+,17+,18-,19-,20-,21-,22-,23-,24-,25-,26+,27+/m1/s1
InChIKeyFEIRESOVYDAKQU-JXHNJFCJSA-O
ChEBI Ontology
Outgoing Relation(s)
β-D-Galp6N+-(1→4)-[β-D-Galp-(1→4)-β-D-Glcp-(1→6)]-β-D-GlcpNAc-OMe (CHEBI:145703) has functional parent β-D-Galp-(1→4)-[β-D-Galp-(1→4)-β-D-Glcp-(1→6)]-β-D-GlcpNAc (CHEBI:61841)
β-D-Galp6N+-(1→4)-[β-D-Galp-(1→4)-β-D-Glcp-(1→6)]-β-D-GlcpNAc-OMe (CHEBI:145703) has part azaniumyl group (CHEBI:48284)
β-D-Galp6N+-(1→4)-[β-D-Galp-(1→4)-β-D-Glcp-(1→6)]-β-D-GlcpNAc-OMe (CHEBI:145703) is a methyl glycoside (CHEBI:25302)
IUPAC Name 
methyl 6-azaniumyl-6-deoxy-β-D-galactopyranosyl-(1→4)-[β-D-galactopyranosyl-(1→4)-β-D-glucopyranosyl-(1→6)]-2-acetamido-2-deoxy-β-D-glucopyranoside
Synonyms  Source
Gal6N+β1-4(Galβ1-4Glcβ1-6)GlcNAcβOMeChEBI
Galβ1-4Glcβ1-6(Gal6N+β1-4)GlcNAcβOMeChEBI
methyl 2-acetamido-4-O-(6-azaniumyl-6-deoxy-β-D-galactopyranosyl)-6-O-[4-O-(β-D-galactopyranosyl)-β-D-glucopyranosyl]-2-deoxy-β-D-glucopyranosideChEBI
methyl 6-ammonio-6-deoxy-β-D-galactosyl-(1→4)-[β-D-galactosyl-(1→4)-β-D-glucosyl-(1→6)]-N-acetyl-β-D-glucosaminideChEBI
methyl β-D-galactosyl-(1→4)-β-D-glucosyl-(1→6)-[6-ammonio-6-deoxy-β-D-galactosyl-(1→4)]-N-acetyl-β-D-glucosaminideChEBI
β-D-Gal-(1→4)-β-D-Glc-(1→6)-[β-D-Gal6N+-(1→4)]-β-D-GlcNAc-OMeChEBI
Citations