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CHEBI:137088 - β-D-GlcA3S-(1→3)-β-D-Gal-OMe(2−)

ChEBI IDCHEBI:137088
ChEBI Nameβ-D-GlcA3S-(1→3)-β-D-Gal-OMe(2−)
Stars
ASCII Namebeta-D-GlcA3S-(1->3)-beta-D-Gal-OMe(2-)
DefinitionThe carbohydrate acid derivative anion formed from β-D-GlcA3S-(1→3)-β-D-Gal-OMe by loss of two protons, one from each of its sulfo and carboxy groups.
Last Modified19 May 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC13H20O15S
Net Charge-2
Average Mass448.355
Monoisotopic Mass448.05339
SMILESCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](OS(=O)(=O)[O-])[C@H]2O)[C@H]1O
InChIInChI=1S/C13H22O15S/c1-24-12-6(17)8(4(15)3(2-14)25-12)26-13-7(18)9(28-29(21,22)23)5(16)10(27-13)11(19)20/h3-10,12-18H,2H2,1H3,(H,19,20)(H,21,22,23)/p-2/t3-,4+,5+,6-,7-,8+,9+,10+,12-,13-/m1/s1
InChIKeyHYJDXCFUJGDGSV-NGVJXJJJSA-L
ChEBI Ontology
Outgoing Relation(s)
β-D-GlcA3S-(1→3)-β-D-Gal-OMe(2−) (CHEBI:137088) is a carbohydrate acid derivative anion (CHEBI:63551)
β-D-GlcA3S-(1→3)-β-D-Gal-OMe(2−) (CHEBI:137088) is a organosulfate oxoanion (CHEBI:58958)
β-D-GlcA3S-(1→3)-β-D-Gal-OMe(2−) (CHEBI:137088) is conjugate base of β-D-GlcA3S-(1→3)-β-D-Gal-OMe (CHEBI:137087)
Incoming Relation(s)
Na2[β-D-GlcA3S-(1→3)-β-D-Gal-OMe] (CHEBI:137090) has part β-D-GlcA3S-(1→3)-β-D-Gal-OMe(2−) (CHEBI:137088)
β-D-GlcA3S-(1→3)-β-D-Gal-OMe (CHEBI:137087) is conjugate acid of β-D-GlcA3S-(1→3)-β-D-Gal-OMe(2−) (CHEBI:137088)
IUPAC Name 
methyl 3-O-sulfonato-β-D-glucopyranosyluronate-(1→3)-β-D-galactopyranoside
Synonyms  Source
methyl 3-O-(3-O-sulfonato-β-D-glucopyranosyluronate)-β-D-galactopyranosideIUPAC
methyl 3-O-sulfonato-β-D-glucosyluronate-(1→3)-β-D-galactosideChEBI
β-D-GlcpA3S-(1→3)-β-D-Galp-OMe(2−)ChEBI
Citations