CHEBI:29807 - glycyrrhizinate(3−)

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ChEBI Name glycyrrhizinate(3−) ChEBI ID CHEBI:29807 ChEBI ASCII Name glycyrrhizinate(3-) Definition A tricarboxylic acid trianion that is the conjugate base of glycyrrhizinic acid. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:14367, CHEBI:24419 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 C42H59O16 Net Charge -3 Average Mass 819.90826 Monoisotopic Mass 819.38196 InChI InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)/p-3/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+/m0/s1 InChIKey LPLVUJXQOOQHMX-QWBHMCJMSA-K SMILES [H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[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@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C([O-])=O)C([O-])=O)C(C)(C)[C@]3([H])CC[C@@]12C)C([O-])=O ChEBI Ontology Outgoing glycyrrhizinate(3−) (CHEBI:29807) is a tricarboxylic acid trianion (CHEBI:27092) glycyrrhizinate(3−) (CHEBI:29807) is conjugate base of glycyrrhizinic acid (CHEBI:15939) Incoming glycyrrhizinic acid (CHEBI:15939) is conjugate acid of glycyrrhizinate(3−) (CHEBI:29807) Synonyms Sources (3beta,20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl-2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid KEGG COMPOUND Glycyrrhizic acid KEGG COMPOUND glycyrrhizin ChEBI glycyrrhizin UniProt Glycyrrhizin KEGG COMPOUND Glycyrrhizinate KEGG COMPOUND Manual Xrefs Databases C00003522 KNApSAcK C02284 KEGG COMPOUND D00157 KEGG DRUG GLYCYRRHIZINATE MetaCyc View more database links Last Modified 08 January 2016