Dataset

Dihydrotestosterone

This MassBank record with Accession MSBNK-Athens_Univ-AU280506 contains the MS2 mass spectrum of Dihydrotestosterone with the InChIkey NVKAWKQGWWIWPM-ABEVXSGRSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1
SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C
InChI Key NVKAWKQGWWIWPM-ABEVXSGRSA-N
Molecular Formula C19H30O2
Exact Mass 290.225 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU280506
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:50:12.096067
MetadataModified 2024-01-11T09:50:12.259808
MetadataPublished 2019-05-31
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
10635 PubChem
PD012320 ProbesDrugs
80004316 NMRShiftDB
08J2K08A3Y FDA SRS
17beta-hydroxy-5alpha-androstan-3-one Atlas
14751321 PubChem: Thomson Pharma
5adtststerone Recon
12040-51-6 ACToR
SCHEMBL15163 SureChEMBL
14751322 PubChem: Thomson Pharma
521-18-6 ACToR
3455 Guide to Pharmacology
2856 Guide to Pharmacology
MCULE-5987413622 Mcule
HANDRO CCDC
J39.503J Nikkaji
SLM:000001058 SwissLipids
CB9181225 ChemicalBook
174924 Brenda
16330 Rhea
105443 Brenda
2393 Brenda
95659 Brenda
104356 Brenda
HMDB0002961 Human Metabolome Database
13107 Brenda
737 Brenda
2703 Brenda
8094 Brenda
18699 Brenda
104347 Brenda
172580 Brenda
11107 Brenda
2055 Brenda
107938 Brenda
MTBLC16330 Metabolights
217860 Brenda
ZINC000003814360 ZINC
LMST02020042 LipidMaps
3927 DrugCentral
DTXSID9022364 EPA CompTox Dashboard
18161 BindingDB
50366473 BindingDB
DB02901 DrugBank
477779 eMolecules
CHEMBL27769 ChEMBL
57304367 PubChem: Drugs of the Future
C03917 KEGG Ligand
DHT PDBe
16330 ChEBI
The data in this table is sourced from UniChem at EBI.