CHEBI:137068 - β-D-GlcA3S-(1→3)-β-D-Gal-OC6H4-4-OMe

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name β-D-GlcA3S-(1→3)-β-D-Gal-OC6H4-4-OMe
ChEBI ID CHEBI:137068
ChEBI ASCII Name beta-D-GlcA3S-(1->3)-beta-D-Gal-OC6H4-4-OMe
Definition A β-D-galactoside that is the 4-methoxyphenyl glycoside of a disaccharide consisting of a 3-O-sulfo-β-D-glucuronic acid residue linked (1→3) to β-D-galactose.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C19H26O16S
Net Charge 0
Average Mass 542.467
Monoisotopic Mass 542.09416
InChI InChI=1S/C19H26O16S/c1-30-7-2-4-8(5-3-7)31-18-12(23)14(10(21)9(6-20)32-18)33-19-13(24)15(35-36(27,28)29)11(22)16(34-19)17(25)26/h2-5,9-16,18-24H,6H2,1H3,(H,25,26)(H,27,28,29)/t9-,10+,11+,12-,13-,14+,15+,16+,18-,19-/m1/s1
InChIKey NOBQAULUYZSEFI-YWAXVPCUSA-N
SMILES O([C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(O)=O)O)OS(=O)(=O)O)O)O)C=3C=CC(=CC3)OC
ChEBI Ontology
Outgoing β-D-GlcA3S-(1→3)-β-D-Gal-OC6H4-4-OMe (CHEBI:137068) is a β-D-galactoside (CHEBI:28034)
β-D-GlcA3S-(1→3)-β-D-Gal-OC6H4-4-OMe (CHEBI:137068) is a disaccharide derivative (CHEBI:63353)
β-D-GlcA3S-(1→3)-β-D-Gal-OC6H4-4-OMe (CHEBI:137068) is conjugate acid of β-D-GlcA3S-(1→3)-β-D-Gal-OC6H4-4-OMe(2−) (CHEBI:137069)
Incoming β-D-GlcA3S-(1→3)-β-D-Gal-OC6H4-4-OMe(2−) (CHEBI:137069) is conjugate base of β-D-GlcA3S-(1→3)-β-D-Gal-OC6H4-4-OMe (CHEBI:137068)
IUPAC Name
4-methoxyphenyl (3-O-sulfo-β-D-glucopyranosyluronic acid)-(1→3)-β-D-galactopyranoside
Synonyms Sources
4-methoxyphenyl 3-O-(3-O-sulfo-β-D-glucopyranuronosyl)-β-D-galactopyranoside IUPAC
4-methoxyphenyl 3-O-sulfo-β-D-glucopyranuronosyl-(1→3)-β-D-galactopyranoside IUPAC
4-methoxyphenyl 3-O-sulfo-β-D-glucuronosyl-(1→3)-β-D-galactoside ChEBI
Citation Waiting for Citations Type Source
28416698 PubMed citation Europe PMC
Last Modified
18 May 2017