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CHEBI:137072 - β-D-GlcA-(1→3)-β-D-Gal-OC6H4-4-OMe(1−)

ChEBI IDCHEBI:137072
ChEBI Nameβ-D-GlcA-(1→3)-β-D-Gal-OC6H4-4-OMe(1−)
Stars
ASCII Namebeta-D-GlcA-(1->3)-beta-D-Gal-OC6H4-4-OMe(1-)
DefinitionThe carbohydrate acid derivative anion formed from β-D-GlcA-(1→3)-β-D-Gal-OC6H4-4-OMe by loss of a proton from its carboxy group.
Last Modified18 May 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC19H25O13
Net Charge-1
Average Mass461.396
Monoisotopic Mass461.13006
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](O)[C@H]3O)[C@H]2O)cc1
InChIInChI=1S/C19H26O13/c1-28-7-2-4-8(5-3-7)29-19-14(25)15(10(21)9(6-20)30-19)31-18-13(24)11(22)12(23)16(32-18)17(26)27/h2-5,9-16,18-25H,6H2,1H3,(H,26,27)/p-1/t9-,10+,11+,12+,13-,14-,15+,16+,18-,19-/m1/s1
InChIKeySXCMBFCOFCOUHD-UHBSQBIVSA-M
ChEBI Ontology
Outgoing Relation(s)
β-D-GlcA-(1→3)-β-D-Gal-OC6H4-4-OMe(1−) (CHEBI:137072) is a carbohydrate acid derivative anion (CHEBI:63551)
β-D-GlcA-(1→3)-β-D-Gal-OC6H4-4-OMe(1−) (CHEBI:137072) is conjugate base of β-D-GlcA-(1→3)-β-D-Gal-OC6H4-4-OMe (CHEBI:137071)
Incoming Relation(s)
Na[β-D-GlcA-(1→3)-β-D-Gal-OC6H4-4-OMe] (CHEBI:137073) has part β-D-GlcA-(1→3)-β-D-Gal-OC6H4-4-OMe(1−) (CHEBI:137072)
β-D-GlcA-(1→3)-β-D-Gal-OC6H4-4-OMe (CHEBI:137071) is conjugate acid of β-D-GlcA-(1→3)-β-D-Gal-OC6H4-4-OMe(1−) (CHEBI:137072)
IUPAC Name 
4-methoxyphenyl β-D-glucopyranosyluronate-(1→3)-β-D-galactopyranoside
Synonyms  Source
4-methoxyphenyl 3-O-(β-D-glucopyranosyluronate)-β-D-galactopyranosideIUPAC
β-D-GlcpA-(1→3)-β-D-Galp-OC6H4-4-OMe(2−)ChEBI
4-methoxyphenyl β-D-glucosyluronate-(1→3)-β-D-galactosideChEBI
Citations