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CHEBI:145704 - β-D-Galp6N+-(1→4)-[β-D-GalpA−-(1→4)-β-D-Glcp-(1→6)]-β-D-GlcpNAc-OMe

ChEBI IDCHEBI:145704
ChEBI Nameβ-D-Galp6N+-(1→4)-[β-D-GalpA−-(1→4)-β-D-Glcp-(1→6)]-β-D-GlcpNAc-OMe
Stars
ASCII Namebeta-D-Galp6N(+)-(1->4)-[beta-D-GalpA(-)-(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 CH2OH of the galactose within the trisaccharide chain is replaced by anionic carboxylate, the hydroxy group at position 6 of the galactose residue linked to O-4 of the reducing end glucosaminyl 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
FormulaC27H46N2O21
Net Charge0
Average Mass734.658
Monoisotopic Mass734.25931
SMILESCO[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](C(=O)[O-])[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/C27H46N2O21/c1-6(31)29-10-12(33)21(49-26-17(38)13(34)11(32)7(3-28)45-26)9(47-24(10)43-2)5-44-25-19(40)16(37)20(8(4-30)46-25)48-27-18(39)14(35)15(36)22(50-27)23(41)42/h7-22,24-27,30,32-40H,3-5,28H2,1-2H3,(H,29,31)(H,41,42)/t7-,8-,9-,10-,11+,12-,13+,14+,15-,16-,17-,18-,19-,20-,21-,22+,24-,25-,26+,27-/m1/s1
InChIKeyGTKZIFSOBCBOTH-OPXUTIKFSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-Galp6N+-(1→4)-[β-D-GalpA−-(1→4)-β-D-Glcp-(1→6)]-β-D-GlcpNAc-OMe (CHEBI:145704) 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-GalpA−-(1→4)-β-D-Glcp-(1→6)]-β-D-GlcpNAc-OMe (CHEBI:145704) has part azaniumyl group (CHEBI:48284)
β-D-Galp6N+-(1→4)-[β-D-GalpA−-(1→4)-β-D-Glcp-(1→6)]-β-D-GlcpNAc-OMe (CHEBI:145704) is a methyl glycoside (CHEBI:25302)
IUPAC Name 
methyl 6-azaniumyl-6-deoxy-β-D-galactopyranosyl-(1→4)-[β-D-galactopyranuronosyl-(1→4)-β-D-glucopyranosyl-(1→6)]-2-acetamido-2-deoxy-β-D-glucopyranoside
Synonyms  Source
GalA−β1-4Glcβ1-6(Gal6N+β1-4)GlcNAcβOMeChEBI
methyl 6-ammonio-6-deoxy-β-D-galactosyl-(1→4)-[β-D-galacturonosyl-(1→4)-β-D-glucosyl-(1→6)]-N-acetyl-β-D-glucosaminideChEBI
methyl 6-ammonio-6-deoxy-β-D-galactosyl-(1→4)-[β-D-galacturonosyl-(1→4)-β-D-glucosyl-(1→6)]-2-acetamido-2-deoxy-β-D-glucosideChEBI
β-D-Gal6N+-(1→4)-[β-D-GalA−-(1→4)-β-D-Glc-(1→6)]-β-D-GlcNAc-OMeChEBI
β-D-GalA−-(1→4)-β-D-Glc-(1→6)-[β-D-Gal6N+-(1→4)]-β-D-GlcNAc-OMeChEBI
β-D-GalpA−-(1→4)-β-D-Glcp-(1→6)-[β-D-Galp6N+-(1→4)]-β-D-GlcpNAc-OMeIUPAC
Citations