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CHEBI:136634 - estrone 3-O-(β-D-glucuronide)(1−)

ChEBI IDCHEBI:136634
ChEBI Nameestrone 3-O-(β-D-glucuronide)(1−)
Stars
ASCII Nameestrone 3-O-(beta-D-glucuronide)(1-)
DefinitionA steroid glucuronide anion that is the conjugate base of estrone 3-O-(β-D-glucuronide) arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
Last Modified21 June 2017
Submitternhn
DownloadsMolfile
FormulaC24H29O8
Net Charge-1
Average Mass445.488
Monoisotopic Mass445.18679
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)cc3CC[C@@]21[H]
InChIInChI=1S/C24H30O8/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-16,18-21,23,26-28H,2,4,6-9H2,1H3,(H,29,30)/p-1/t14-,15-,16+,18+,19+,20-,21+,23-,24+/m1/s1
InChIKeyFJAZVHYPASAQKM-JBAURARKSA-M
ChEBI Ontology
Outgoing Relation(s)
estrone 3-O-(β-D-glucuronide)(1−) (CHEBI:136634) is a estrane conjugate (CHEBI:167107)
estrone 3-O-(β-D-glucuronide)(1−) (CHEBI:136634) is a steroid glucosiduronic acid anion (CHEBI:136637)
estrone 3-O-(β-D-glucuronide)(1−) (CHEBI:136634) is a β-D-glucosiduronate (CHEBI:83411)
estrone 3-O-(β-D-glucuronide)(1−) (CHEBI:136634) is conjugate base of estrone 3-O-(β-D-glucuronide) (CHEBI:28919)
Incoming Relation(s)
estrone 3-O-(β-D-glucuronide) (CHEBI:28919) is conjugate acid of estrone 3-O-(β-D-glucuronide)(1−) (CHEBI:136634)
IUPAC Name 
17-oxoestra-1,3,5(10)-trien-3-yl β-D-glucopyranosiduronate
UniProt Name  Source
estrone 3-O-(β-D-glucuronate)UniProt
Citations