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

ChEBI IDCHEBI:137070
ChEBI NameNa2[β-D-GlcA3S-(1→3)-β-D-Gal-OC6H4-4-OMe]
Stars
ASCII NameNa2[beta-D-GlcA3S-(1->3)-beta-D-Gal-OC6H4-4-OMe]
DefinitionAn organic sodium salt that is the disodium salt of β-D-GlcA3S-(1→3)-β-D-Gal-OC6H4-4-OMe.
Last Modified19 May 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC19H24O16S.2Na
Net Charge0
Average Mass586.432
Monoisotopic Mass586.05804
SMILESCOc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](C(=O)[O-])[C@@H](O)[C@H](OS(=O)(=O)[O-])[C@H]3O)[C@H]2O)cc1.[Na+].[Na+]
InChIInChI=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
InChIKeyPZJOJSQDDLWLOF-KIDVXUPHSA-L
ChEBI Ontology
Outgoing Relation(s)
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  Source
disodium 4-methoxyphenyl 3-O-(3-O-sulfonato-β-D-glucopyranosyluronate)-β-D-galactopyranosideIUPAC
Na2[β-D-GlcpA3S-(1→3)-β-D-Galp-OC6H4-4-OMe]IUPAC
4-methoxyphenyl (disodium 3-O-sulfonato-β-D-glucosyluronate)-(1→3)-β-D-galactosideChEBI
4-methoxyphenyl (3-O-sulfo-β-D-glucopyranosyluronate)-(1→3)-β-D-galactopyranoside, disodium saltChEBI
Citations