CHEBI:136902 - lithocholic acid 24-O-(β-D-glucuronide)(1−)

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ChEBI Name lithocholic acid 24-O-(β-D-glucuronide)(1−) ChEBI ID CHEBI:136902 ChEBI ASCII Name lithocholic acid 24-O-(beta-D-glucuronide)(1-) Definition A steroid glucuronide anion that is the conjugate base of lithocholic acid 24-O-(β-D-glucuronide) arising from deprotonation of the carboxylic acid function; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Nevila Nouspikel 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 C30H47O9 Net Charge -1 Average Mass 551.690 Monoisotopic Mass 551.32256 InChI InChI=1S/C30H48O9/c1-15(4-9-22(32)38-28-25(35)23(33)24(34)26(39-28)27(36)37)19-7-8-20-18-6-5-16-14-17(31)10-12-29(16,2)21(18)11-13-30(19,20)3/h15-21,23-26,28,31,33-35H,4-14H2,1-3H3,(H,36,37)/p-1/t15-,16-,17-,18+,19-,20+,21+,23+,24+,25-,26+,28-,29+,30-/m1/s1 InChIKey YRGNGOBHHWKRFH-VYACWCJYSA-M SMILES C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@@]2(C[C@@H](C1)O)[H])[H])(CC[C@@]4([C@@H](CCC(O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C([O-])=O)=O)C)[H])[H])C)[H])C ChEBI Ontology Outgoing lithocholic acid 24-O-(β-D-glucuronide)(1−) (CHEBI:136902) is a β-D-glucosiduronate (CHEBI:83411) lithocholic acid 24-O-(β-D-glucuronide)(1−) (CHEBI:136902) is a monocarboxylic acid anion (CHEBI:35757) lithocholic acid 24-O-(β-D-glucuronide)(1−) (CHEBI:136902) is a steroid glucosiduronic acid anion (CHEBI:136637) lithocholic acid 24-O-(β-D-glucuronide)(1−) (CHEBI:136902) is conjugate base of lithocholic acid 24-O-(β-D-glucuronide) (CHEBI:137807) Incoming lithocholic acid 24-O-(β-D-glucuronide) (CHEBI:137807) is conjugate acid of lithocholic acid 24-O-(β-D-glucuronide)(1−) (CHEBI:136902) IUPAC Name 1-O-(3α-hydroxy-24-oxo-5β-cholan-24-yl)-β-D-glucopyranuronate Synonyms Sources 1-O-[(3α,5β)-3-hydroxy-24-oxocholan-24-yl]-β-D-glucopyranuronate IUPAC LCA-24G(1−) SUBMITTER lithocholoyl-24-O-(β-D-glucuronate) UniProt Citation Type Source 23756265 PubMed citation SUBMITTER Last Modified 11 July 2017