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CHEBI:136635 - 16α-hydroxyestrone 3-O-(β-D-glucuronide)(1−)

ChEBI IDCHEBI:136635
ChEBI Name16α-hydroxyestrone 3-O-(β-D-glucuronide)(1−)
Stars
ASCII Name16alpha-hydroxyestrone 3-O-(beta-D-glucuronide)(1-)
DefinitionA steroid glucuronide anion that is the conjugate base of 16α-hydroxyestrone 3-O-(β-D-glucuronide) arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
Last Modified21 June 2017
Submitternhn
DownloadsMolfile
FormulaC24H29O9
Net Charge-1
Average Mass461.487
Monoisotopic Mass461.18171
SMILES[H][C@@]12C[C@@H](O)C(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]4O)cc3CC[C@@]21[H]
InChIInChI=1S/C24H30O9/c1-24-7-6-13-12-5-3-11(32-23-19(28)17(26)18(27)20(33-23)22(30)31)8-10(12)2-4-14(13)15(24)9-16(25)21(24)29/h3,5,8,13-20,23,25-28H,2,4,6-7,9H2,1H3,(H,30,31)/p-1/t13-,14-,15+,16-,17+,18+,19-,20+,23-,24+/m1/s1
InChIKeyLUVBXKQCOJYEJY-OWYKRJLGSA-M
ChEBI Ontology
Outgoing Relation(s)
16α-hydroxyestrone 3-O-(β-D-glucuronide)(1−) (CHEBI:136635) has functional parent 16α-hydroxyestrone (CHEBI:776)
16α-hydroxyestrone 3-O-(β-D-glucuronide)(1−) (CHEBI:136635) is a estrane conjugate (CHEBI:167107)
16α-hydroxyestrone 3-O-(β-D-glucuronide)(1−) (CHEBI:136635) is a steroid glucosiduronic acid anion (CHEBI:136637)
16α-hydroxyestrone 3-O-(β-D-glucuronide)(1−) (CHEBI:136635) is a β-D-glucosiduronate (CHEBI:83411)
16α-hydroxyestrone 3-O-(β-D-glucuronide)(1−) (CHEBI:136635) is conjugate base of 16α-hydroxyestrone 3-O-(β-D-glucuronide) (CHEBI:137488)
Incoming Relation(s)
16α-hydroxyestrone 3-O-(β-D-glucuronide) (CHEBI:137488) is conjugate acid of 16α-hydroxyestrone 3-O-(β-D-glucuronide)(1−) (CHEBI:136635)
UniProt Name  Source
16α-hydroxyestrone 3-O-(β-D-glucuronate)UniProt
Citations