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CHEBI:136931 - 2-hydroxy-17β-estradiol 3-O-(β-D-glucuronide)(1−)

ChEBI IDCHEBI:136931
ChEBI Name2-hydroxy-17β-estradiol 3-O-(β-D-glucuronide)(1−)
Stars
ASCII Name2-hydroxy-17beta-estradiol 3-O-(beta-D-glucuronide)(1-)
DefinitionA steroid glucuronide anion that is the conjugate base of 2-hydroxy-17β-estradiol 3-O-(β-D-glucuronide) arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
Last Modified13 July 2017
Submitternhn
DownloadsMolfile
FormulaC24H31O9
Net Charge-1
Average Mass463.503
Monoisotopic Mass463.19736
SMILES[H][C@@]12CCc3cc(O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]4O)c(O)cc3[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H]
InChIInChI=1S/C24H32O9/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/h8-9,11-12,14,17-21,23,25-29H,2-7H2,1H3,(H,30,31)/p-1/t11-,12+,14-,17-,18-,19-,20+,21-,23+,24-/m0/s1
InChIKeyJHQREQGUZKWDML-OBRRSLBQSA-M
ChEBI Ontology
Outgoing Relation(s)
2-hydroxy-17β-estradiol 3-O-(β-D-glucuronide)(1−) (CHEBI:136931) is a monocarboxylic acid anion (CHEBI:35757)
2-hydroxy-17β-estradiol 3-O-(β-D-glucuronide)(1−) (CHEBI:136931) is a steroid glucosiduronic acid anion (CHEBI:136637)
2-hydroxy-17β-estradiol 3-O-(β-D-glucuronide)(1−) (CHEBI:136931) is a β-D-glucosiduronate (CHEBI:83411)
2-hydroxy-17β-estradiol 3-O-(β-D-glucuronide)(1−) (CHEBI:136931) is conjugate base of 2-hydroxy-17β-estradiol 3-O-(β-D-glucuronide) (CHEBI:137837)
Incoming Relation(s)
2-hydroxy-17β-estradiol 3-O-(β-D-glucuronide) (CHEBI:137837) is conjugate acid of 2-hydroxy-17β-estradiol 3-O-(β-D-glucuronide)(1−) (CHEBI:136931)
IUPAC Name 
2,17β-dihydroxyestra-1,3,5(10)-trien-3-yl β-D-glucopyranosiduronate
Synonyms  Source
2-OHE2 3G(1−)SUBMITTER
2-hydroxy-17β-estradiol 3-β-glucuronide(1−)ChEBI
2-hydroxy-17β-estradiol 3-glucuronide(1−)ChEBI
2-hydroxy-17β-estradiol 3-(β-D-glucuronide)(1−)ChEBI
(17β)-2,17-dihydroxyestra-1,3,5(10)-trien-3-yl β-D-glucopyranosiduronateIUPAC
UniProt Name  Source
2-hydroxy-17β-estradiol 3-O-(β-D-glucuronate)UniProt
Citations