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CHEBI:234189 - 3-O-(β-D-glucuronosyl)-medicagenate(3−)

ChEBI IDCHEBI:234189
ChEBI Name3-O-(β-D-glucuronosyl)-medicagenate(3−)
Stars
ASCII Name3-O-(beta-D-glucuronosyl)-medicagenate(3-)
DefinitionMajor species at pH 7.3.
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC36H51O12
Net Charge-3
Average Mass675.792
Monoisotopic Mass675.33970
SMILES[H][C@]12CC=C3[C@]4([H])CC(C)(C)CC[C@]4(C(=O)[O-])CC[C@@]3(C)[C@]1(C)CC[C@]1([H])[C@]2(C)C[C@H](O)[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)[O-]
InChIInChI=1S/C36H54O12/c1-31(2)11-13-36(30(45)46)14-12-33(4)17(18(36)15-31)7-8-20-32(3)16-19(37)26(35(6,29(43)44)21(32)9-10-34(20,33)5)48-28-24(40)22(38)23(39)25(47-28)27(41)42/h7,18-26,28,37-40H,8-16H2,1-6H3,(H,41,42)(H,43,44)(H,45,46)/p-3/t18-,19-,20+,21+,22-,23-,24+,25-,26-,28-,32+,33+,34+,35-,36-/m0/s1
InChIKeyQOOMNXCRAXXTJZ-AMCYRGHLSA-K
ChEBI Ontology
Outgoing Relation(s)
3-O-(β-D-glucuronosyl)-medicagenate(3−) (CHEBI:234189) is a monocarboxylic acid anion (CHEBI:35757)
UniProt Name  Source
3-O-(β-D-glucuronosyl)-medicagenateUniProt
Citations