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CHEBI:145692 - β-D-Galp-(1→4)-[β-D-GalpA−-(1→4)-β-D-Glcp-(1→6)]-β-D-GlcpNAc-OMe

ChEBI IDCHEBI:145692
ChEBI Nameβ-D-Galp-(1→4)-[β-D-GalpA−-(1→4)-β-D-Glcp-(1→6)]-β-D-GlcpNAc-OMe
Stars
ASCII Namebeta-D-Galp-(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 and the hydroxy group at the reducing-end anomeric centre is methylated.
Last Modified18 December 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC27H44NO22
Net Charge-1
Average Mass734.634
Monoisotopic Mass734.23605
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](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C27H45NO22/c1-6(31)28-10-12(33)21(49-26-17(38)13(34)11(32)7(3-29)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/h7-22,24-27,29-30,32-40H,3-5H2,1-2H3,(H,28,31)(H,41,42)/p-1/t7-,8-,9-,10-,11+,12-,13+,14+,15-,16-,17-,18-,19-,20-,21-,22+,24-,25-,26+,27-/m1/s1
InChIKeyUXFNQYMRPKQWBV-OPXUTIKFSA-M
ChEBI Ontology
Outgoing Relation(s)
β-D-Galp-(1→4)-[β-D-GalpA−-(1→4)-β-D-Glcp-(1→6)]-β-D-GlcpNAc-OMe (CHEBI:145692) 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-Galp-(1→4)-[β-D-GalpA−-(1→4)-β-D-Glcp-(1→6)]-β-D-GlcpNAc-OMe (CHEBI:145692) is a carbohydrate acid derivative anion (CHEBI:63551)
β-D-Galp-(1→4)-[β-D-GalpA−-(1→4)-β-D-Glcp-(1→6)]-β-D-GlcpNAc-OMe (CHEBI:145692) is a methyl glycoside (CHEBI:25302)
IUPAC Name 
methyl β-D-galactopyranosyl-(1→4)-[β-D-galactopyranuronosyl-(1→4)-β-D-glucopyranosyl-(1→6)]-2-acetamido-2-deoxy-β-D-glucopyranoside(1−)
Synonyms  Source
methyl 2-acetamido-4-O-β-D-galactopyranosyl-6-O-[4-O-(β-D-galactopyranosyl uronate)-β-D-glucopyranosyl]-2-deoxy-β-D-glucopyranosideChEBI
β-D-GalpA−-(1→4)-β-D-Glcp-(1→6)-[β-D-Galp-(1→4)]-β-D-GlcpNAc-OMeIUPAC
β-D-Gal-(1→4)-[β-D-GalA−-(1→4)-β-D-Glc-(1→6)]-β-D-GlcNAc-OMeChEBI
Galβ1-4(GalA−β1-4Glcβ1-6)GlcNAcβOMeChEBI
β-D-GalA−-(1→4)-β-D-Glc-(1→6)-[β-D-Gal-(1→4)]-β-D-GlcNAc-OMeChEBI
GalA−β1-4Glcβ1-6(Galβ1-4)GlcNAcβOMeChEBI
Citations