CHEBI:137489 - 16α-hydroxyestrone 16-O-(β-D-glucuronide)

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ChEBI Name 16α-hydroxyestrone 16-O-(β-D-glucuronide) ChEBI ID CHEBI:137489 ChEBI ASCII Name 16alpha-hydroxyestrone 16-O-(beta-D-glucuronide) Definition A steroid glucosiduronic acid that is 16α-hydroxyestrone in which the hydroxy hydrogen at position 16 has been replaced by a β-D-glucuronyl residue. 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 C24H30O9 Net Charge 0 Average Mass 462.491 Monoisotopic Mass 462.18898 InChI InChI=1S/C24H30O9/c1-24-7-6-13-12-5-3-11(25)8-10(12)2-4-14(13)15(24)9-16(21(24)29)32-23-19(28)17(26)18(27)20(33-23)22(30)31/h3,5,8,13-20,23,25-28H,2,4,6-7,9H2,1H3,(H,30,31)/t13-,14-,15+,16-,17+,18+,19-,20+,23-,24+/m1/s1 InChIKey JLYJQBHANCHTOW-OWYKRJLGSA-N SMILES C1[C@]2([C@]3([C@@](C4=C(C=C(O)C=C4)CC3)(CC[C@@]2(C(=O)[C@@H]1O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C(O)=O)C)[H])[H])[H] ChEBI Ontology Outgoing 16α-hydroxyestrone 16-O-(β-D-glucuronide) (CHEBI:137489) has functional parent 16α-hydroxyestrone (CHEBI:776) 16α-hydroxyestrone 16-O-(β-D-glucuronide) (CHEBI:137489) is a β-D-glucosiduronic acid (CHEBI:15341) 16α-hydroxyestrone 16-O-(β-D-glucuronide) (CHEBI:137489) is a 17-oxo steroid (CHEBI:19168) 16α-hydroxyestrone 16-O-(β-D-glucuronide) (CHEBI:137489) is a 3-hydroxy steroid (CHEBI:36834) 16α-hydroxyestrone 16-O-(β-D-glucuronide) (CHEBI:137489) is a phenols (CHEBI:33853) 16α-hydroxyestrone 16-O-(β-D-glucuronide) (CHEBI:137489) is a steroid glucosiduronic acid (CHEBI:26763) 16α-hydroxyestrone 16-O-(β-D-glucuronide) (CHEBI:137489) is conjugate acid of 16α-hydroxyestrone 16-O-(β-D-glucuronide)(1−) (CHEBI:136636) Incoming 16α-hydroxyestrone 16-O-(β-D-glucuronide)(1−) (CHEBI:136636) is conjugate base of 16α-hydroxyestrone 16-O-(β-D-glucuronide) (CHEBI:137489) IUPAC Name 3-hydroxy-17-oxoestra-1,3,5(10)-trien-16α-yl β-D-glucopyranosiduronic acid Registry Number Type Source 24533670 Reaxys Registry Number Reaxys Citation Type Source 26220143 PubMed citation Europe PMC Last Modified 21 June 2017