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CHEBI:234159 - 3-O-(β-D-glucuronosyl)-quillate

ChEBI IDCHEBI:234159
ChEBI Name3-O-(β-D-glucuronosyl)-quillate
Stars
ASCII Name3-O-(beta-D-glucuronosyl)-quillate
DefinitionMajor species at pH 7.3.
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC36H52O11
Net Charge-2
Average Mass660.801
Monoisotopic Mass660.35206
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@@]1(C)C=O
InChIInChI=1S/C36H54O11/c1-31(2)13-14-36(30(44)45)19(15-31)18-7-8-21-32(3)11-10-23(46-29-26(41)24(39)25(40)27(47-29)28(42)43)33(4,17-37)20(32)9-12-34(21,5)35(18,6)16-22(36)38/h7,17,19-27,29,38-41H,8-16H2,1-6H3,(H,42,43)(H,44,45)/p-2/t19-,20+,21+,22+,23-,24-,25-,26+,27-,29+,32-,33-,34+,35+,36+/m0/s1
InChIKeyPIGTXFOGKFOFTO-FVFWYJKVSA-L
ChEBI Ontology
Outgoing Relation(s)
3-O-(β-D-glucuronosyl)-quillate (CHEBI:234159) is a monocarboxylic acid anion (CHEBI:35757)
UniProt Name  Source
3-O-(β-D-glucuronosyl)-quillateUniProt
Citations