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CHEBI:178100 - estriol 17-O-(β-D-glucuronide)(1−)

ChEBI IDCHEBI:178100
ChEBI Nameestriol 17-O-(β-D-glucuronide)(1−)
Stars
ASCII Nameestriol 17-O-(beta-D-glucuronide)(1-)
DefinitionA steroid glucuronide anion that is the conjugate base of estriol 17-O-(β-D-glucuronide) arising from deprotonation of the carboxylic group; major species at pH 7.3.
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-FLVROIOLSA-M
ChEBI Ontology
Outgoing Relation(s)
estriol 17-O-(β-D-glucuronide)(1−) (CHEBI:178100) is a steroid glucosiduronic acid anion (CHEBI:136637)
UniProt Name  Source
16α,17β-estriol 17-O-(β-D-glucuronate)UniProt
Citations