CHEBI:136882 - 17-epiestriol 3-O-(β-D-glucuronide)(1−)

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ChEBI Name 17-epiestriol 3-O-(β-D-glucuronide)(1−)
ChEBI ID CHEBI:136882
ChEBI ASCII Name 17-epiestriol 3-O-(beta-D-glucuronide)(1-)
Definition A steroid glucuronide anion that is the conjugate base of 17-epiestriol 3-O-(β-D-glucuronide) arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Nevila Nouspikel
Supplier Information
Download Molfile XML SDF
Formula C24H31O9
Net Charge -1
Average Mass 463.498
Monoisotopic Mass 463.19736
InChI InChI=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
InChIKey UZKIAJMSMKLBQE-PHEYUCJMSA-M
SMILES C1=C2C(CC[C@]3([C@@]4(C[C@H]([C@H]([C@]4(CC[C@@]32[H])C)O)O)[H])[H])=CC(=C1)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C([O-])=O
ChEBI Ontology
Outgoing 17-epiestriol 3-O-(β-D-glucuronide)(1−) (CHEBI:136882) is a β-D-glucosiduronate (CHEBI:83411)
17-epiestriol 3-O-(β-D-glucuronide)(1−) (CHEBI:136882) is a monocarboxylic acid anion (CHEBI:35757)
17-epiestriol 3-O-(β-D-glucuronide)(1−) (CHEBI:136882) is a steroid glucosiduronic acid anion (CHEBI:136637)
17-epiestriol 3-O-(β-D-glucuronide)(1−) (CHEBI:136882) is conjugate base of 17-epiestriol 3-O-(β-D-glucuronide) (CHEBI:137701)
Incoming 17-epiestriol 3-O-(β-D-glucuronide) (CHEBI:137701) is conjugate acid of 17-epiestriol 3-O-(β-D-glucuronide)(1−) (CHEBI:136882)
IUPAC Name
16α,17α-dihydroxyestra-1(10),2,4-trien-3-yl β-D-glucopyranosiduronate
Synonyms Sources
16α,17α-estriol 3-O-(β-D-glucuronate) UniProt
16α,17α-estriol 3-O-(β-D-glucuronide)(1−) SUBMITTER
Citation Waiting for Citations Type Source
23288867 PubMed citation SUBMITTER
Last Modified
07 July 2017