CHEBI:136970 - 4-hydroxyestrone 4-O-(β-D-glucuronide)(1−)

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ChEBI Name 4-hydroxyestrone 4-O-(β-D-glucuronide)(1−) ChEBI ID CHEBI:136970 ChEBI ASCII Name 4-hydroxyestrone 4-O-(beta-D-glucuronide)(1-) Definition A steroid glucuronide anion that is the conjugate base of estrone 4-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 C24H29O9 Net Charge -1 Average Mass 461.483 Monoisotopic Mass 461.18171 InChI InChI=1S/C24H30O9/c1-24-9-8-11-10-4-6-15(25)20(13(10)3-2-12(11)14(24)5-7-16(24)26)32-23-19(29)17(27)18(28)21(33-23)22(30)31/h4,6,11-12,14,17-19,21,23,25,27-29H,2-3,5,7-9H2,1H3,(H,30,31)/p-1/t11-,12-,14+,17+,18+,19-,21+,23-,24+/m1/s1 InChIKey XSEHSKUBWMKIFT-ATASCAFHSA-M SMILES [C@H]1([C@H]([C@@H]([C@H]([C@@H](O1)OC=2C3=C([C@@]4([C@]([C@]5([C@@](C(=O)CC5)(CC4)C)[H])(CC3)[H])[H])C=CC2O)O)O)O)C(=O)[O-] ChEBI Ontology Outgoing 4-hydroxyestrone 4-O-(β-D-glucuronide)(1−) (CHEBI:136970) is a β-D-glucosiduronate (CHEBI:83411) 4-hydroxyestrone 4-O-(β-D-glucuronide)(1−) (CHEBI:136970) is a monocarboxylic acid anion (CHEBI:35757) 4-hydroxyestrone 4-O-(β-D-glucuronide)(1−) (CHEBI:136970) is a steroid glucosiduronic acid anion (CHEBI:136637) 4-hydroxyestrone 4-O-(β-D-glucuronide)(1−) (CHEBI:136970) is conjugate base of 4-hydroxyestrone 4-O-(β-D-glucuronide) (CHEBI:137961) Incoming 4-hydroxyestrone 4-O-(β-D-glucuronide) (CHEBI:137961) is conjugate acid of 4-hydroxyestrone 4-O-(β-D-glucuronide)(1−) (CHEBI:136970) IUPAC Name 3-hydroxy-17-oxoestra-1,3,5(10)-trien-4-yl β-D-glucopyranosiduronate Synonyms Sources 4-hydroxyestrone 4-β-D-glucuronide(1−) ChEBI 4-hydroxyestrone 4-β-glucuronide(1−) ChEBI 4-hydroxyestrone 4-glucuronide(1−) ChEBI 4OHE1 4G(1−) SUBMITTER estrone 4-O-(β-D-glucuronate) UniProt Citation Type Source 15472229 PubMed citation SUBMITTER Last Modified 20 July 2017