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

ChEBI IDCHEBI:136970
ChEBI Name4-hydroxyestrone 4-O-(β-D-glucuronide)(1−)
Stars
ASCII Name4-hydroxyestrone 4-O-(beta-D-glucuronide)(1-)
DefinitionA 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.
Last Modified20 July 2017
Submitternhn
DownloadsMolfile
FormulaC24H29O9
Net Charge-1
Average Mass461.487
Monoisotopic Mass461.18171
SMILES[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)c(O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]4O)c3CC[C@@]21[H]
InChIInChI=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
InChIKeyXSEHSKUBWMKIFT-ATASCAFHSA-M
ChEBI Ontology
Outgoing Relation(s)
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 a β-D-glucosiduronate (CHEBI:83411)
4-hydroxyestrone 4-O-(β-D-glucuronide)(1−) (CHEBI:136970) is conjugate base of 4-hydroxyestrone 4-O-(β-D-glucuronide) (CHEBI:137961)
Incoming Relation(s)
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  Source
4OHE1 4G(1−)SUBMITTER
4-hydroxyestrone 4-glucuronide(1−)ChEBI
4-hydroxyestrone 4-β-D-glucuronide(1−)ChEBI
4-hydroxyestrone 4-β-glucuronide(1−)ChEBI
UniProt Name  Source
estrone 4-O-(β-D-glucuronate)UniProt
Citations