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CHEBI:138026 - 5α-dihydrotestosterone sulfate

ChEBI IDCHEBI:138026
ChEBI Name5α-dihydrotestosterone sulfate
Stars
ASCII Name5alpha-dihydrotestosterone sulfate
DefinitionA 3-oxo-5α-steroid that is 5α-dihydrotestosterone in which the hydroxy hydrogen at position 17 has been replaced by a sulfo group.
Last Modified27 July 2017
SubmitterSteve
DownloadsMolfile
FormulaC19H30O5S
Net Charge0
Average Mass370.511
Monoisotopic Mass370.18140
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@@H](OS(=O)(=O)O)CC[C@@]34[H])[C@@]1(C)CCC(=O)C2
InChIInChI=1S/C19H30O5S/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(24-25(21,22)23)19(15,2)10-8-16(14)18/h12,14-17H,3-11H2,1-2H3,(H,21,22,23)/t12-,14-,15-,16-,17-,18-,19-/m0/s1
InChIKeyKYVPWJSGFKNNLD-ABEVXSGRSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) PubMed (26239050)
Roles Classification
Biological Role:
human blood serum metabolite  Any metabolite (endogenous or exogenous) found in human blood serum samples.
ChEBI Ontology
Outgoing Relation(s)
5α-dihydrotestosterone sulfate (CHEBI:138026) has functional parent 17β-hydroxy-5α-androstan-3-one (CHEBI:16330)
5α-dihydrotestosterone sulfate (CHEBI:138026) has role human blood serum metabolite (CHEBI:85234)
5α-dihydrotestosterone sulfate (CHEBI:138026) is a 3-oxo-5α-steroid (CHEBI:13601)
5α-dihydrotestosterone sulfate (CHEBI:138026) is a steroid sulfate (CHEBI:16158)
5α-dihydrotestosterone sulfate (CHEBI:138026) is conjugate acid of 5α-dihydrotestosterone sulfate(1−) (CHEBI:136982)
Incoming Relation(s)
5α-dihydrotestosterone sulfate(1−) (CHEBI:136982) is conjugate base of 5α-dihydrotestosterone sulfate (CHEBI:138026)
IUPAC Name 
3-oxo-5α-androstan-17β-yl hydrogen sulfate
Synonyms  Source
5α-dihydrotestosterone 17-sulfateChEBI
DHT-SulphateHMDB
Dihydrotestosterone sulphateHMDB
DHT-SulfateHMDB
Dihydrotestosterone sulfateHMDB
(5α,17β)-3-oxoandrostan-17-yl hydrogen sulfateIUPAC
Manual XrefsDatabases
LMST05020023LIPID MAPS
HMDB0006278HMDB
Registry NumbersSources
Reaxys:5612149Reaxys
Citations