CHEBI:137070 - Na2[β-D-GlcA3S-(1→3)-β-D-Gal-OC6H4-4-OMe]

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Na2[β-D-GlcA3S-(1→3)-β-D-Gal-OC6H4-4-OMe]
ChEBI ID CHEBI:137070
ChEBI ASCII Name Na2[beta-D-GlcA3S-(1->3)-beta-D-Gal-OC6H4-4-OMe]
Definition An organic sodium salt that is the disodium salt of β-D-GlcA3S-(1→3)-β-D-Gal-OC6H4-4-OMe.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C19H24Na2O16S
Net Charge 0
Average Mass 586.431
Monoisotopic Mass 586.05804
InChI InChI=1S/C19H26O16S.2Na/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);;/q;2*+1/p-2/t9-,10+,11+,12-,13-,14+,15+,16+,18-,19-;;/m1../s1
InChIKey PZJOJSQDDLWLOF-KIDVXUPHSA-L
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.[Na+].[Na+]
ChEBI Ontology
Outgoing Na2[β-D-GlcA3S-(1→3)-β-D-Gal-OC6H4-4-OMe] (CHEBI:137070) has part β-D-GlcA3S-(1→3)-β-D-Gal-OC6H4-4-OMe(2−) (CHEBI:137069)
Na2[β-D-GlcA3S-(1→3)-β-D-Gal-OC6H4-4-OMe] (CHEBI:137070) is a organic sodium salt (CHEBI:38700)
IUPAC Name
4-methoxyphenyl (disodium 3-O-sulfonato-β-D-glucopyranosyluronate)-(1→3)-β-D-galactopyranoside
Synonyms Sources
4-methoxyphenyl (3-O-sulfo-β-D-glucopyranosyluronate)-(1→3)-β-D-galactopyranoside, disodium salt ChEBI
4-methoxyphenyl (disodium 3-O-sulfonato-β-D-glucosyluronate)-(1→3)-β-D-galactoside ChEBI
disodium 4-methoxyphenyl 3-O-(3-O-sulfonato-β-D-glucopyranosyluronate)-β-D-galactopyranoside IUPAC
Na2[β-D-GlcpA3S-(1→3)-β-D-Galp-OC6H4-4-OMe] IUPAC
Citation Waiting for Citations Type Source
28416698 PubMed citation Europe PMC
Last Modified
19 May 2017