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CHEBI:136969 - 4-hydroxyestrone 3-O-(β-D-glucuronide)(1−)

ChEBI IDCHEBI:136969
ChEBI Name4-hydroxyestrone 3-O-(β-D-glucuronide)(1−)
Stars
ASCII Name4-hydroxyestrone 3-O-(beta-D-glucuronide)(1-)
DefinitionA steroid glucuronide anion that is the conjugate base of 4-hydroxyestrone 3-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@@H]4O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]4O)c(O)c3CC[C@@]21[H]
InChIInChI=1S/C24H30O9/c1-24-9-8-11-10-4-6-15(32-23-20(29)18(27)19(28)21(33-23)22(30)31)17(26)13(10)3-2-12(11)14(24)5-7-16(24)25/h4,6,11-12,14,18-21,23,26-29H,2-3,5,7-9H2,1H3,(H,30,31)/p-1/t11-,12-,14+,18+,19+,20-,21+,23-,24+/m1/s1
InChIKeyQAOFTFHHOWYCDI-WOKPNQEWSA-M
ChEBI Ontology
Outgoing Relation(s)
4-hydroxyestrone 3-O-(β-D-glucuronide)(1−) (CHEBI:136969) is a monocarboxylic acid anion (CHEBI:35757)
4-hydroxyestrone 3-O-(β-D-glucuronide)(1−) (CHEBI:136969) is a steroid glucosiduronic acid anion (CHEBI:136637)
4-hydroxyestrone 3-O-(β-D-glucuronide)(1−) (CHEBI:136969) is a β-D-glucosiduronate (CHEBI:83411)
4-hydroxyestrone 3-O-(β-D-glucuronide)(1−) (CHEBI:136969) is conjugate base of 4-hydroxyestrone 3-O-(β-D-glucuronide) (CHEBI:137960)
Incoming Relation(s)
4-hydroxyestrone 3-O-(β-D-glucuronide) (CHEBI:137960) is conjugate acid of 4-hydroxyestrone 3-O-(β-D-glucuronide)(1−) (CHEBI:136969)
IUPAC Name 
4-hydroxy-17-oxoestra-1,3,5(10)-trien-3-yl β-D-glucopyranosiduronate
Synonyms  Source
4-OHE1 3G(1−)SUBMITTER
4-hydroxyestrone 3-β-D-glucuronide(1−)ChEBI
4-hydroxyestrone 3-β-glucuronide(1−)ChEBI
4-hydroxyestrone 3-glucuronide(1−)ChEBI
UniProt Name  Source
4-hydroxyestrone 3-O-(β-D-glucuronate)UniProt
Citations