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beta-D-Galp6N(+)-(1->4)-[beta-D-GalpA(-)-(1->4)-beta-D-Glcp-(1->6)]-beta-D-GlcpNAc-OMe

Go to external page http://purl.obolibrary.org/obo/CHEBI_145704

A methyl glycoside that is beta-D-Gal-(1->4)-[beta-D-Gal-(1->4)-beta-D-Glc-(1->6)]-beta-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.

Term info

Label

beta-D-Galp6N(+)-(1->4)-[beta-D-GalpA(-)-(1->4)-beta-D-Glcp-(1->6)]-beta-D-GlcpNAc-OMe

Synonyms
  • methyl 6-azaniumyl-6-deoxy-beta-D-galactopyranosyl-(1->4)-[beta-D-galactopyranuronosyl-(1->4)-beta-D-glucopyranosyl-(1->6)]-2-acetamido-2-deoxy-beta-D-glucopyranoside
database cross reference
Subsets

3_STAR

IUPAC NAME
methyl 6-azaniumyl-6-deoxy-beta-D-galactopyranosyl-(1->4)-[beta-D-galactopyranuronosyl-(1->4)-beta-D-glucopyranosyl-(1->6)]-2-acetamido-2-deoxy-beta-D-glucopyranoside [ IUPAC ]

charge

0

formula

C27H46N2O21

has obo namespace

chebi_ontology

has related synonym

methyl 2-acetamido-4-O-(6-ammonio-6-deoxy-beta-D-galactopyranosyl)-6-O-[4-O-(beta-D-galactopyranosyl uronate)-beta-D-glucopyranosyl]-2-deoxy-beta-D-glucopyranoside, beta-D-GalA(-)-(1->4)-beta-D-Glc-(1->6)-[beta-D-Gal6N(+)-(1->4)]-beta-D-GlcNAc-OMe, methyl 6-ammonio-6-deoxy-beta-D-galactosyl-(1->4)-[beta-D-galacturonosyl-(1->4)-beta-D-glucosyl-(1->6)]-N-acetyl-beta-D-glucosaminide, Gal6N(+)beta1-4(GalA(-)beta1-4Glcbeta1-6)GlcNAcbetaOMe, methyl 6-ammonio-6-deoxy-beta-D-galactosyl-(1->4)-[beta-D-galacturonosyl-(1->4)-beta-D-glucosyl-(1->6)]-2-acetamido-2-deoxy-beta-D-glucoside, beta-D-GalpA(-)-(1->4)-beta-D-Glcp-(1->6)-[beta-D-Galp6N(+)-(1->4)]-beta-D-GlcpNAc-OMe, GalA(-)beta1-4Glcbeta1-6(Gal6N(+)beta1-4)GlcNAcbetaOMe, beta-D-Gal6N(+)-(1->4)-[beta-D-GalA(-)-(1->4)-beta-D-Glc-(1->6)]-beta-D-GlcNAc-OMe

id

CHEBI:145704

inchi

InChI=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

inchikey

GTKZIFSOBCBOTH-OPXUTIKFSA-N

mass

734.658

monoisotopicmass

734.25931

smiles

[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)C[NH3+])O)O)O)O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)C(=O)[O-])O)O)O)O)O)OC)NC(=O)C)O