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CHEBI:137701 - 17-epiestriol 3-O-(β-D-glucuronide)

ChEBI IDCHEBI:137701
ChEBI Name17-epiestriol 3-O-(β-D-glucuronide)
Stars
ASCII Name17-epiestriol 3-O-(beta-D-glucuronide)
DefinitionA steroid glucosiduronic acid that is 17-epiestriol having a single β-D-glucuronic acid residue attached at position 3.
Last Modified10 July 2017
SubmitterSteve
DownloadsMolfile
FormulaC24H32O9
Net Charge0
Average Mass464.511
Monoisotopic Mass464.20463
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)/t13-,14-,15+,16-,17+,18+,19-,20+,21-,23-,24+/m1/s1
InChIKeyUZKIAJMSMKLBQE-PHEYUCJMSA-N
ChEBI Ontology
Outgoing Relation(s)
17-epiestriol 3-O-(β-D-glucuronide) (CHEBI:137701) has functional parent 17-epiestriol (CHEBI:42156)
17-epiestriol 3-O-(β-D-glucuronide) (CHEBI:137701) is a steroid glucosiduronic acid (CHEBI:26763)
17-epiestriol 3-O-(β-D-glucuronide) (CHEBI:137701) is a β-D-glucosiduronic acid (CHEBI:15341)
17-epiestriol 3-O-(β-D-glucuronide) (CHEBI:137701) is conjugate acid of 17-epiestriol 3-O-(β-D-glucuronide)(1−) (CHEBI:136882)
Incoming Relation(s)
17-epiestriol 3-O-(β-D-glucuronide)(1−) (CHEBI:136882) is conjugate base of 17-epiestriol 3-O-(β-D-glucuronide) (CHEBI:137701)
IUPAC Name 
16α,17α-dihydroxyestra-1(10),2,4-trien-3-yl β-D-glucopyranosiduronic acid
Synonyms  Source
16α,17α-estriol 3-O-(β-D-glucuronate)ChEBI
(16α,17α)-16,17-dihydroxyestra-1(10),2,4-trien-3-yl β-D-glucopyranosiduronic acidIUPAC
Registry NumbersSources
Reaxys:23416853Reaxys
Citations