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CHEBI:28832 - androsterone 3-glucosiduronic acid

Default Structure
ChEBI IDCHEBI:28832
ChEBI Nameandrosterone 3-glucosiduronic acid
Stars
DefinitionA steroid glucosiduronic acid having androsterone as the steroid component.
Secondary ChEBI IDsCHEBI:2715, CHEBI:22556
Last Modified11 December 2019
DownloadsMolfile
FormulaC25H38O8
Net Charge0
Average Mass466.571
Monoisotopic Mass466.25667
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)C(=O)CC[C@@]34[H])[C@@]1(C)CC[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)C2
InChIInChI=1S/C25H38O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-16,18-21,23,27-29H,3-11H2,1-2H3,(H,30,31)/t12-,13+,14-,15-,16-,18-,19-,20+,21-,23+,24-,25-/m0/s1
InChIKeyVFUIRAVTUVCQTF-BSOWLZGZSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
androsterone 3-glucosiduronic acid (CHEBI:28832) has functional parent androsterone (CHEBI:16032)
androsterone 3-glucosiduronic acid (CHEBI:28832) has functional parent β-D-glucuronic acid (CHEBI:28860)
androsterone 3-glucosiduronic acid (CHEBI:28832) has role human metabolite (CHEBI:77746)
androsterone 3-glucosiduronic acid (CHEBI:28832) has role metabolite (CHEBI:25212)
androsterone 3-glucosiduronic acid (CHEBI:28832) has role mouse metabolite (CHEBI:75771)
androsterone 3-glucosiduronic acid (CHEBI:28832) is a steroid glucosiduronic acid (CHEBI:26763)
androsterone 3-glucosiduronic acid (CHEBI:28832) is a β-D-glucosiduronic acid (CHEBI:15341)
IUPAC Name 
(3α,5α)-17-oxoandrostan-3-yl β-D-glucopyranosiduronic acid
Synonyms  Source
3α-hydroxy-5α-androstan-17-one glucuronideHMDB
Androsterone 3-glucuronideKEGG COMPOUND
Androsterone glucosiduronateChemIDplus
Androsterone glucuronideKEGG COMPOUND
androsterone glucuronosideChEBI
Etiocholanolone glucuronideChemIDplus
Manual XrefsDatabases
C11135KEGG COMPOUND
HMDB0002829HMDB
LMST05010013LIPID MAPS
Registry NumbersSources
Reaxys:64682Reaxys
CAS:1852-43-3ChemIDplus
CAS:1852-43-3KEGG COMPOUND
Citations