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CHEBI:153573 - 4-androsten-17β-ol-3-one glucosiduronate

ChEBI IDCHEBI:153573
ChEBI Name4-androsten-17β-ol-3-one glucosiduronate
Stars
ASCII Name4-androsten-17beta-ol-3-one glucosiduronate
DefinitionA steroid glucosiduronic acid that is (8ξ,9ξ,14ξ)-androst-4-en-3-one carrying a glucosiduronic acid residue at position 17β.
Last Modified19 June 2020
Submittermwilliams
DownloadsMolfile
FormulaC25H36O8
Net Charge0
Average Mass464.555
Monoisotopic Mass464.24102
SMILESC[C@]12CCC(=O)C=C1CCC1C2CC[C@@]2(C)C1CC[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C25H36O8/c1-24-9-7-13(26)11-12(24)3-4-14-15-5-6-17(25(15,2)10-8-16(14)24)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h11,14-21,23,27-29H,3-10H2,1-2H3,(H,30,31)/t14?,15?,16?,17-,18-,19-,20+,21-,23+,24-,25-/m0/s1
InChIKeyNIKZPECGCSUSBV-FWDQRILVSA-N
ChEBI Ontology
Outgoing Relation(s)
4-androsten-17β-ol-3-one glucosiduronate (CHEBI:153573) is a 3-oxo steroid (CHEBI:47788)
4-androsten-17β-ol-3-one glucosiduronate (CHEBI:153573) is a enone (CHEBI:51689)
4-androsten-17β-ol-3-one glucosiduronate (CHEBI:153573) is a steroid glucosiduronic acid (CHEBI:26763)
4-androsten-17β-ol-3-one glucosiduronate (CHEBI:153573) is a β-D-glucosiduronic acid (CHEBI:15341)
IUPAC Name 
(8ξ,9ξ,14ξ)-3-oxoandrost-4-en-17β-yl β-D-glucopyranosiduronic acid
Synonym  Source
(17β)-3-oxoandrost-4-en-17-yl β-D-glucopyranosiduronic acidSUBMITTER