EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:136883 - 17-epiestriol 17-O-(β-D-glucuronide)(1−)

ChEBI IDCHEBI:136883
ChEBI Name17-epiestriol 17-O-(β-D-glucuronide)(1−)
Stars
ASCII Name17-epiestriol 17-O-(beta-D-glucuronide)(1-)
DefinitionA steroid glucuronide anion that is the conjugate base of 17-epiestriol 17-O-(β-D-glucuronide) arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
Last Modified10 July 2017
Submitternhn
DownloadsMolfile
FormulaC24H31O9
Net Charge-1
Average Mass463.503
Monoisotopic Mass463.19736
SMILES[H][C@@]12CCc3cc(O)ccc3[C@@]1([H])CC[C@]1(C)[C@H](O[C@@H]3O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)C[C@@]21[H]
InChIInChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(25)8-10(12)2-4-14(13)15(24)9-16(26)21(24)33-23-19(29)17(27)18(28)20(32-23)22(30)31/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
InChIKeyCZGFLAQOJPXVRV-SQFONMOTSA-M
ChEBI Ontology
Outgoing Relation(s)
17-epiestriol 17-O-(β-D-glucuronide)(1−) (CHEBI:136883) is a monocarboxylic acid anion (CHEBI:35757)
17-epiestriol 17-O-(β-D-glucuronide)(1−) (CHEBI:136883) is a steroid glucosiduronic acid anion (CHEBI:136637)
17-epiestriol 17-O-(β-D-glucuronide)(1−) (CHEBI:136883) is a β-D-glucosiduronate (CHEBI:83411)
17-epiestriol 17-O-(β-D-glucuronide)(1−) (CHEBI:136883) is conjugate base of 17-epiestriol 17-O-(β-D-glucuronide) (CHEBI:137702)
Incoming Relation(s)
17-epiestriol 17-O-(β-D-glucuronide) (CHEBI:137702) is conjugate acid of 17-epiestriol 17-O-(β-D-glucuronide)(1−) (CHEBI:136883)
IUPAC Name 
3,16α-dihydroxyestra-1(10),2,4-trien-17α-yl β-D-glucopyranosiduronate
Synonyms  Source
16α,17α-estriol 17-O-(β-D-glucuronide)(1−)SUBMITTER
(16α,17α)-3,16-dihydroxyestra-1(10),2,4-trien-17-yl β-D-glucopyranosiduronateIUPAC
UniProt Name  Source
16α,17α-estriol 17-O-(β-D-glucuronate)UniProt
Citations