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CHEBI:136649 - estriol 3-O-(β-D-glucuronide)(1−)

ChEBI IDCHEBI:136649
ChEBI Nameestriol 3-O-(β-D-glucuronide)(1−)
Stars
ASCII Nameestriol 3-O-(beta-D-glucuronide)(1-)
DefinitionA steroid glucuronide anion that is the conjugate base of estriol 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
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)ccc3[C@@]1([H])CC[C@]1(C)[C@@H](O)[C@H](O)C[C@@]21[H]
InChIInChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(32-23-19(28)17(26)18(27)20(33-23)22(30)31)8-10(12)2-4-14(13)15(24)9-16(25)21(24)29/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31)/p-1/t13-,14-,15+,16-,17+,18+,19-,20+,21+,23-,24+/m1/s1
InChIKeyUZKIAJMSMKLBQE-JRSYHJKYSA-M
ChEBI Ontology
Outgoing Relation(s)
estriol 3-O-(β-D-glucuronide)(1−) (CHEBI:136649) is a steroid glucosiduronic acid anion (CHEBI:136637)
estriol 3-O-(β-D-glucuronide)(1−) (CHEBI:136649) is a β-D-glucosiduronate (CHEBI:83411)
estriol 3-O-(β-D-glucuronide)(1−) (CHEBI:136649) is conjugate base of estriol 3-O-(β-D-glucuronide) (CHEBI:45869)
Incoming Relation(s)
estriol 3-O-(β-D-glucuronide) (CHEBI:45869) is conjugate acid of estriol 3-O-(β-D-glucuronide)(1−) (CHEBI:136649)
IUPAC Name 
(16α,17β)-16,17-dihydroxyestra-1,3,5(10)-trien-3-yl β-D-glucopyranosiduronate
Synonym  Source
16α,17β-estriol 3-O-(β-D-glucuronide) (1−)SUBMITTER
UniProt Name  Source
16α,17β-estriol 3-O-(β-D-glucuronate)UniProt
Citations