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CHEBI:136673 - epitestosterone 17-O-(β-D-glucuronide)(1−)

ChEBI IDCHEBI:136673
ChEBI Nameepitestosterone 17-O-(β-D-glucuronide)(1−)
Stars
ASCII Nameepitestosterone 17-O-(beta-D-glucuronide)(1-)
DefinitionA steroid glucuronide anion that is the conjugate base of epitestosterone 17-O-(β-D-glucuronide) arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
Last Modified21 June 2017
Submitternhn
DownloadsMolfile
FormulaC25H35O8
Net Charge-1
Average Mass463.547
Monoisotopic Mass463.23374
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[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)CC[C@@]21[H]
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)/p-1/t14-,15-,16-,17+,18-,19-,20+,21-,23+,24-,25-/m0/s1
InChIKeyNIKZPECGCSUSBV-RWUBDERLSA-M
ChEBI Ontology
Outgoing Relation(s)
epitestosterone 17-O-(β-D-glucuronide)(1−) (CHEBI:136673) has functional parent epitestosterone (CHEBI:42534)
epitestosterone 17-O-(β-D-glucuronide)(1−) (CHEBI:136673) is a androstane conjugate (CHEBI:167106)
epitestosterone 17-O-(β-D-glucuronide)(1−) (CHEBI:136673) is a steroid glucosiduronic acid anion (CHEBI:136637)
epitestosterone 17-O-(β-D-glucuronide)(1−) (CHEBI:136673) is a β-D-glucosiduronate (CHEBI:83411)
epitestosterone 17-O-(β-D-glucuronide)(1−) (CHEBI:136673) is conjugate base of epitestosterone 17-O-(β-D-glucuronide) (CHEBI:137491)
Incoming Relation(s)
epitestosterone 17-O-(β-D-glucuronide) (CHEBI:137491) is conjugate acid of epitestosterone 17-O-(β-D-glucuronide)(1−) (CHEBI:136673)
IUPAC Name 
3-oxoandrost-4-en-17α-yl β-D-glucopyranosiduronate
UniProt Name  Source
epitestosterone 17-O-(β-D-glucuronate)UniProt
Citations