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CHEBI:89417 - 5α-dihydrotestosterone 17-O-(β-D-glucuronide)

ChEBI IDCHEBI:89417
ChEBI Name5α-dihydrotestosterone 17-O-(β-D-glucuronide)
Stars
ASCII Name5alpha-dihydrotestosterone 17-O-(beta-D-glucuronide)
DefinitionA steroid glucosiduronic acid that is 5α-dihydrotestosterone having a single β-D-glucuronic acid residue attached at position 17.
Last Modified13 July 2017
DownloadsMolfile
FormulaC25H38O8
Net Charge0
Average Mass466.571
Monoisotopic Mass466.25667
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]34[H])[C@@]1(C)CCC(=O)C2
InChIInChI=1S/C25H38O8/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/h12,14-21,23,27-29H,3-11H2,1-2H3,(H,30,31)/t12-,14-,15-,16-,17-,18-,19-,20+,21-,23+,24-,25-/m0/s1
InChIKeyCLQMBSSRTBUNDV-CPKOJWPQSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (12560362)
Roles Classification
Biological Role:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
ChEBI Ontology
Outgoing Relation(s)
5α-dihydrotestosterone 17-O-(β-D-glucuronide) (CHEBI:89417) has functional parent 17β-hydroxy-5α-androstan-3-one (CHEBI:16330)
5α-dihydrotestosterone 17-O-(β-D-glucuronide) (CHEBI:89417) has role human urinary metabolite (CHEBI:84087)
5α-dihydrotestosterone 17-O-(β-D-glucuronide) (CHEBI:89417) is a 3-oxo-5α-steroid (CHEBI:13601)
5α-dihydrotestosterone 17-O-(β-D-glucuronide) (CHEBI:89417) is a steroid glucosiduronic acid (CHEBI:26763)
5α-dihydrotestosterone 17-O-(β-D-glucuronide) (CHEBI:89417) is conjugate acid of 5α-dihydrotestosterone 17-O-(β-D-glucuronide)(1−) (CHEBI:136914)
Incoming Relation(s)
5α-dihydrotestosterone 17-O-(β-D-glucuronide)(1−) (CHEBI:136914) is conjugate base of 5α-dihydrotestosterone 17-O-(β-D-glucuronide) (CHEBI:89417)
IUPAC Name 
3-oxo-5α-androstan-17β-yl β-D-glucopyranosiduronic acid
Synonyms  Source
5α-dihydrotestosterone 17-β-glucuronideChEBI
5α-dihydrotestosterone 17-(β-D-glucuronide)ChEBI
Stanolone glucuronateHMDB
5alpha-Dihydrotestosterone glucuronideHMDB
Dihydrotestosterone 17-glucuronideHMDB
Dihydrotestosterone glucuronideHMDB
Manual XrefsDatabases
LMST05010041LIPID MAPS
HMDB0006203HMDB
Registry NumbersSources
Reaxys:6015621Reaxys
CAS:42037-24-1ChemIDplus
Citations