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CHEBI:234160 - 3-O-[β-D-galactosyl-(1→2)-β-D-glucuronosyl]-quillate

ChEBI IDCHEBI:234160
ChEBI Name3-O-[β-D-galactosyl-(1→2)-β-D-glucuronosyl]-quillate
Stars
ASCII Name3-O-[beta-D-galactosyl-(1->2)-beta-D-glucuronosyl]-quillate
DefinitionMajor species at pH 7.3.
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC42H62O16
Net Charge-2
Average Mass822.942
Monoisotopic Mass822.40488
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]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@]1(C)C=O
InChIInChI=1S/C42H64O16/c1-37(2)13-14-42(36(53)54)20(15-37)19-7-8-23-38(3)11-10-25(39(4,18-44)22(38)9-12-40(23,5)41(19,6)16-24(42)45)56-35-32(29(49)28(48)31(57-35)33(51)52)58-34-30(50)27(47)26(46)21(17-43)55-34/h7,18,20-32,34-35,43,45-50H,8-17H2,1-6H3,(H,51,52)(H,53,54)/p-2/t20-,21+,22+,23+,24+,25-,26-,27-,28-,29-,30+,31-,32+,34-,35+,38-,39-,40+,41+,42+/m0/s1
InChIKeyMSSGJMKZJDPGIJ-UHGIRWQDSA-L
ChEBI Ontology
Outgoing Relation(s)
3-O-[β-D-galactosyl-(1→2)-β-D-glucuronosyl]-quillate (CHEBI:234160) is a monocarboxylic acid anion (CHEBI:35757)
UniProt Name  Source
3-O-[β-D-galactosyl-(1→2)-β-D-glucuronosyl]-quillateUniProt
Citations