CHEBI:136884 - 17-epiestriol 16-O-(β-D-glucuronide)(1−)

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ChEBI Name 17-epiestriol 16-O-(β-D-glucuronide)(1−) ChEBI ID CHEBI:136884 ChEBI ASCII Name 17-epiestriol 16-O-(beta-D-glucuronide)(1-) Definition A steroid glucuronide anion that is the conjugate base of 17-epiestriol 16-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 Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search 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(25)8-10(12)2-4-14(13)15(24)9-16(21(24)29)32-23-19(28)17(26)18(27)20(33-23)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 InChIKey FQYGGFDZJFIDPU-PHEYUCJMSA-M SMILES C1=C2C(CC[C@]3([C@@]4(C[C@H]([C@H]([C@]4(CC[C@@]32[H])C)O)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C([O-])=O)[H])[H])=CC(=C1)O ChEBI Ontology Outgoing 17-epiestriol 16-O-(β-D-glucuronide)(1−) (CHEBI:136884) is a β-D-glucosiduronate (CHEBI:83411) 17-epiestriol 16-O-(β-D-glucuronide)(1−) (CHEBI:136884) is a monocarboxylic acid anion (CHEBI:35757) 17-epiestriol 16-O-(β-D-glucuronide)(1−) (CHEBI:136884) is a steroid glucosiduronic acid anion (CHEBI:136637) 17-epiestriol 16-O-(β-D-glucuronide)(1−) (CHEBI:136884) is conjugate base of 17-epiestriol 16-O-(β-D-glucuronide) (CHEBI:137706) Incoming 17-epiestriol 16-O-(β-D-glucuronide) (CHEBI:137706) is conjugate acid of 17-epiestriol 16-O-(β-D-glucuronide)(1−) (CHEBI:136884) IUPAC Name 3,17α-dihydroxyestra-1(10),2,4-trien-16α-yl β-D-glucopyranosiduronate Synonyms Sources (16α,17α)-3,17-dihydroxyestra-1(10),2,4-trien-16-yl β-D-glucopyranosiduronate IUPAC 16α,17α-estriol 16-β-D-glucuronide(1−) SUBMITTER 16α,17α-estriol 16-O-(β-D-glucuronate) UniProt Citation Type Source 23288867 PubMed citation SUBMITTER Last Modified 10 July 2017