CHEBI:62441 - soyasapogenol B 3-O-β-glucuronate

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ChEBI Name soyasapogenol B 3-O-β-glucuronate ChEBI ID CHEBI:62441 ChEBI ASCII Name soyasapogenol B 3-O-beta-glucuronate Definition A monocarboxylic acid anion that results from the removal of a proton from the carboxy group of soyasapogenol B 3-O-β-glucuronide. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C36H57O9 Net Charge -1 Average Mass 633.83240 Monoisotopic Mass 633.40081 InChI InChI=1S/C36H58O9/c1-31(2)16-20-19-8-9-22-33(4)12-11-24(44-30-27(41)25(39)26(40)28(45-30)29(42)43)34(5,18-37)21(33)10-13-36(22,7)35(19,6)15-14-32(20,3)23(38)17-31/h8,20-28,30,37-41H,9-18H2,1-7H3,(H,42,43)/p-1/t20-,21+,22+,23+,24-,25-,26-,27+,28-,30+,32+,33-,34+,35+,36+/m0/s1 InChIKey NARQRJFIZNOSJV-JIHAXZPOSA-M SMILES [H][C@@]12CC(C)(C)C[C@@H](O)[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C([O-])=O)[C@](C)(CO)[C@]3([H])CC[C@@]12C ChEBI Ontology Outgoing soyasapogenol B 3-O-β-glucuronate (CHEBI:62441) is a carbohydrate acid derivative anion (CHEBI:63551) soyasapogenol B 3-O-β-glucuronate (CHEBI:62441) is a monocarboxylic acid anion (CHEBI:35757) soyasapogenol B 3-O-β-glucuronate (CHEBI:62441) is conjugate base of soyasapogenol B 3-O-β-glucuronide (CHEBI:62439) Incoming soyasapogenol B 3-O-β-glucuronide (CHEBI:62439) is conjugate acid of soyasapogenol B 3-O-β-glucuronate (CHEBI:62441) IUPAC Name (3β,22β)-22,24-dihydroxyolean-12-en-3-yl β-D-glucopyranosiduronate Synonyms Sources soyasapogenol B 3-O-β-D-glucuronate UniProt soyasapogenol B 3-O-β-glucuronide(1−) ChEBI Citation Type Source 12172845 PubMed citation Europe PMC Last Modified 05 July 2016