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CHEBI:137069 - β-D-GlcA3S-(1→3)-β-D-Gal-OC6H4-4-OMe(2−)

ChEBI IDCHEBI:137069
ChEBI Nameβ-D-GlcA3S-(1→3)-β-D-Gal-OC6H4-4-OMe(2−)
Stars
ASCII Namebeta-D-GlcA3S-(1->3)-beta-D-Gal-OC6H4-4-OMe(2-)
DefinitionThe carbohydrate acid derivative anion formed from β-D-GlcA3S-(1→3)-β-D-Gal-OC6H4-4-OMe by loss of two protons, one from each of its sulfo and carboxy groups.
Last Modified18 May 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC19H24O16S
Net Charge-2
Average Mass540.452
Monoisotopic Mass540.07960
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
InChIInChI=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)/p-2/t9-,10+,11+,12-,13-,14+,15+,16+,18-,19-/m1/s1
InChIKeyNOBQAULUYZSEFI-YWAXVPCUSA-L
ChEBI Ontology
Outgoing Relation(s)
β-D-GlcA3S-(1→3)-β-D-Gal-OC6H4-4-OMe(2−) (CHEBI:137069) is a carbohydrate acid derivative anion (CHEBI:63551)
β-D-GlcA3S-(1→3)-β-D-Gal-OC6H4-4-OMe(2−) (CHEBI:137069) is a organosulfate oxoanion (CHEBI:58958)
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)
Incoming 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)
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)
IUPAC Name 
4-methoxyphenyl 3-O-sulfonato-β-D-glucopyranosyluronate-(1→3)-β-D-galactopyranoside
Synonyms  Source
4-methoxyphenyl 3-O-(3-O-sulfonato-β-D-glucopyranosyluronate)-β-D-galactopyranosideIUPAC
4-methoxyphenyl 3-O-sulfonato-β-D-glucosyluronate-(1→3)-β-D-galactosideChEBI
β-D-GlcpA3S-(1→3)-β-D-Galp-OC6H4-4-OMe(2−)ChEBI
Citations