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CHEBI:136967 - 2-hydroxyestrone 3-O-(β-D-glucuronide)(1−)

ChEBI IDCHEBI:136967
ChEBI Name2-hydroxyestrone 3-O-(β-D-glucuronide)(1−)
Stars
ASCII Name2-hydroxyestrone 3-O-(beta-D-glucuronide)(1-)
DefinitionA steroid glucuronide anion that is the conjugate base of 2-hydroxyestrone 3-O-(β-D-glucuronide) arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
Last Modified17 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])c3cc(O)c(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/c1-24-7-6-11-12(14(24)4-5-17(24)26)3-2-10-8-16(15(25)9-13(10)11)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h8-9,11-12,14,18-21,23,25,27-29H,2-7H2,1H3,(H,30,31)/p-1/t11-,12+,14-,18-,19-,20+,21-,23+,24-/m0/s1
InChIKeyOSGKEDCKMGOZOQ-FKYASPJISA-M
ChEBI Ontology
Outgoing Relation(s)
2-hydroxyestrone 3-O-(β-D-glucuronide)(1−) (CHEBI:136967) is a monocarboxylic acid anion (CHEBI:35757)
2-hydroxyestrone 3-O-(β-D-glucuronide)(1−) (CHEBI:136967) is a steroid glucosiduronic acid anion (CHEBI:136637)
2-hydroxyestrone 3-O-(β-D-glucuronide)(1−) (CHEBI:136967) is a β-D-glucosiduronate (CHEBI:83411)
2-hydroxyestrone 3-O-(β-D-glucuronide)(1−) (CHEBI:136967) is conjugate base of 2-hydroxyestrone 3-O-(β-D-glucuronide) (CHEBI:137924)
Incoming Relation(s)
2-hydroxyestrone 3-O-(β-D-glucuronide) (CHEBI:137924) is conjugate acid of 2-hydroxyestrone 3-O-(β-D-glucuronide)(1−) (CHEBI:136967)
IUPAC Name 
2-hydroxy-17-oxoestra-1,3,5(10)-trien-3-yl β-D-glucopyranosiduronate
Synonyms  Source
2-OHE1 3G(1−)SUBMITTER
2-hydroxyestrone 3-β-glucuronide(1−)ChEBI
2-hydroxyestrone 3-β-D-glucuronide(1−)ChEBI
2-hydroxyestrone 3-glucuronide(1−)ChEBI
UniProt Name  Source
2-hydroxyestrone 3-O-(β-D-glucuronate)UniProt
Citations