EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:79720 - 17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate

ChEBI IDCHEBI:79720
ChEBI Name17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate
Stars
DownloadsMolfile
FormulaC24H32O11S
Net Charge0
Average Mass528.576
Monoisotopic Mass528.16653
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](OS(=O)(=O)O)CC[C@@]21[H]
InChIInChI=1S/C24H32O11S/c1-24-9-8-14-13-5-3-12(33-23-20(27)18(25)19(26)21(34-23)22(28)29)10-11(13)2-4-15(14)16(24)6-7-17(24)35-36(30,31)32/h3,5,10,14-21,23,25-27H,2,4,6-9H2,1H3,(H,28,29)(H,30,31,32)/t14-,15-,16+,17+,18+,19+,20-,21+,23-,24+/m1/s1
InChIKeyXZXBPAODZJETKT-QXYWQCSFSA-N
ChEBI Ontology
Outgoing Relation(s)
17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate (CHEBI:79720) is a steroid glucosiduronic acid (CHEBI:26763)
Synonym  Source
Estradiol 3-glucuronide 17beta-sulfateKEGG COMPOUND
Manual XrefsDatabases
C15207KEGG COMPOUND