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CHEBI:234183 - 3-O-{α-L-Rha-(1→3)-[β-D-Gal-(1→2)]-β-D-GlcA}-quillate

ChEBI IDCHEBI:234183
ChEBI Name3-O-{α-L-Rha-(1→3)-[β-D-Gal-(1→2)]-β-D-GlcA}-quillate
Stars
ASCII Name3-O-{alpha-L-Rha-(1->3)-[beta-D-Gal-(1->2)]-beta-D-GlcA}-quillate
DefinitionMajor species at pH 7.3.
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC48H72O20
Net Charge-2
Average Mass969.084
Monoisotopic Mass968.46279
SMILES[H][C@]12CC=C3[C@]4([H])CC(C)(C)CC[C@]4(C(=O)[O-])[C@H](O)C[C@@]3(C)[C@]1(C)CC[C@]1([H])[C@]2(C)CC[C@H](O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@]1(C)C=O
InChIInChI=1S/C48H74O20/c1-20-28(52)30(54)32(56)39(63-20)66-35-34(58)36(38(59)60)67-41(37(35)68-40-33(57)31(55)29(53)23(18-49)64-40)65-27-11-12-44(4)24(45(27,5)19-50)10-13-46(6)25(44)9-8-21-22-16-43(2,3)14-15-48(22,42(61)62)26(51)17-47(21,46)7/h8,19-20,22-37,39-41,49,51-58H,9-18H2,1-7H3,(H,59,60)(H,61,62)/p-2/t20-,22-,23+,24+,25+,26+,27-,28-,29-,30+,31-,32+,33+,34-,35-,36-,37+,39-,40-,41+,44-,45-,46+,47+,48+/m0/s1
InChIKeyQRMHDTDMGJTOJK-CNRXKUHWSA-L
ChEBI Ontology
Outgoing Relation(s)
3-O-{α-L-Rha-(1→3)-[β-D-Gal-(1→2)]-β-D-GlcA}-quillate (CHEBI:234183) is a monocarboxylic acid anion (CHEBI:35757)
Synonyms  Source
3-O-{α-L-Rhap-(1→3)-[β-D-Galp-(1→2)]-β-D-GlcpA}-quillateSUBMITTER
3-O-{α-L-rhamnopyranosyl-(1→3)-[β-D-galactopyranosyl-(1→2)]-β-D-glucopyranuronosyl}-quillateSUBMITTER
UniProt Name  Source
3-O-{α-L-Rha-(1→3)-[β-D-Gal-(1→2)]-β-D-GlcA}-quillateUniProt
Citations