Record Information |
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Version | 1.0 |
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Creation date | 2011-09-21 00:39:26 UTC |
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Update date | 2015-07-21 06:57:59 UTC |
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Primary ID | FDB024072 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | 5b-Dihydrotestosterone |
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Description | 5b-Dihydrotestosterone, also known as 5-beta-DHT or 5-Β-DHT, belongs to the class of organic compounds known as androgens and derivatives. These are 3-hydroxylated C19 steroid hormones. They are known to favor the development of masculine characteristics. They also show profound effects on scalp and body hair in humans. Thus, 5b-dihydrotestosterone is considered to be a steroid lipid molecule. 5b-Dihydrotestosterone is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. |
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CAS Number | 571-22-2 |
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Structure | |
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Synonyms | Synonym | Source |
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(5beta,17beta)-17-Hydroxyandrostan-3-one | ChEBI | (5beta,8alpha,17beta)-17-Hydroxyandrostan-3-one | ChEBI | 17beta-Hydroxyetiocholan-3-one | ChEBI | 5-beta-DHT | ChEBI | 5beta,17beta-Hydroxyandrostan-3-one | ChEBI | 5beta-Androstan-17beta-ol-3-one | ChEBI | Etiocholan-17-beta-ol-3-one | ChEBI | (5b,17b)-17-Hydroxyandrostan-3-one | Generator | (5Β,17β)-17-hydroxyandrostan-3-one | Generator | (5b,8a,17b)-17-Hydroxyandrostan-3-one | Generator | (5Β,8α,17β)-17-hydroxyandrostan-3-one | Generator | 17b-Hydroxyetiocholan-3-one | Generator | 17Β-hydroxyetiocholan-3-one | Generator | 5-b-DHT | Generator | 5-Β-DHT | Generator | 5b,17b-Hydroxyandrostan-3-one | Generator | 5Β,17β-hydroxyandrostan-3-one | Generator | 5b-Androstan-17b-ol-3-one | Generator | 5Β-androstan-17β-ol-3-one | Generator | Etiocholan-17-b-ol-3-one | Generator | Etiocholan-17-β-ol-3-one | Generator | 5beta-Dihydrotestosterone | HMDB | 17beta-Hydroxy-5beta-androstan-3-one | HMDB | 17beta-hydroxy-5beta-androstan-3-one | hmdb |
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Predicted Properties | |
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Chemical Formula | C19H30O2 |
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IUPAC name | (1S,2S,7R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-one |
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InChI Identifier | 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+/m1/s1 |
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InChI Key | NVKAWKQGWWIWPM-MISPCMORSA-N |
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Isomeric 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 |
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Average Molecular Weight | 290.4403 |
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Monoisotopic Molecular Weight | 290.224580204 |
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Classification |
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Description | Belongs to the class of organic compounds known as androgens and derivatives. These are 3-hydroxylated C19 steroid hormones. They are known to favor the development of masculine characteristics. They also show profound effects on scalp and body hair in humans. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Steroids and steroid derivatives |
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Sub Class | Androstane steroids |
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Direct Parent | Androgens and derivatives |
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Alternative Parents | |
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Substituents | - Androgen-skeleton
- 3-oxosteroid
- 3-oxo-5-beta-steroid
- 17-hydroxysteroid
- Oxosteroid
- Hydroxysteroid
- Cyclic alcohol
- Cyclic ketone
- Secondary alcohol
- Ketone
- Organic oxygen compound
- Organooxygen compound
- Hydrocarbon derivative
- Carbonyl group
- Organic oxide
- Alcohol
- Aliphatic homopolycyclic compound
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Molecular Framework | Aliphatic homopolycyclic compounds |
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External Descriptors | |
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Ontology |
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Disposition | Route of exposure: Biological location: Source: |
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Process | Naturally occurring process: |
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Role | Industrial application: Biological role: |
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Physico-Chemical Properties |
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Physico-Chemical Properties - Experimental | Property | Value | Reference |
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Physical state | Solid | |
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Physical Description | Not Available | |
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Mass Composition | Not Available | |
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Melting Point | Not Available | |
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Boiling Point | Not Available | |
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Experimental Water Solubility | Not Available | |
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Experimental logP | Not Available | |
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Experimental pKa | Not Available | |
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Isoelectric point | Not Available | |
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Charge | Not Available | |
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Optical Rotation | Not Available | |
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Spectroscopic UV Data | Not Available | |
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Density | Not Available | |
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Refractive Index | Not Available | |
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Spectra |
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Spectra | |
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EI-MS/GC-MS | Type | Description | Splash Key | View |
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Predicted GC-MS | 5b-Dihydrotestosterone, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-03gj-0390000000-9eeab8ff981af1be878c | Spectrum | Predicted GC-MS | 5b-Dihydrotestosterone, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-007k-2249000000-51ef016e7481976493bd | Spectrum | Predicted GC-MS | 5b-Dihydrotestosterone, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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MS/MS | Type | Description | Splash Key | View |
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Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000i-0090000000-62e8fc46490b14aee68a | 2017-07-26 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-000i-0090000000-d712d8c85325f4935c06 | 2017-07-26 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-05fu-2190000000-d8e9f38bc70955a04aea | 2017-07-26 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000i-0090000000-c8c452fd99c6bb4f3631 | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-000i-0090000000-c8c452fd99c6bb4f3631 | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-000i-0090000000-20b22a4e3152e3639e64 | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-00dl-0190000000-32b12edcbd16045a4a2e | 2017-07-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-00dl-0390000000-a2704bedea3c7bf92d65 | 2017-07-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-016r-2790000000-d1a3cc2c786b582339b3 | 2017-07-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0006-0090000000-48f400d66433b81d9a66 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0aba-1950000000-acfc6238e1a13c48e859 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-066s-2900000000-1bc41566c7dc5d14c903 | 2021-09-23 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | 10827 |
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ChEMBL ID | CHEMBL373357 |
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KEGG Compound ID | C05293 |
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Pubchem Compound ID | 11302 |
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Pubchem Substance ID | Not Available |
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ChEBI ID | Not Available |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | DB07447 |
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HMDB ID | HMDB06770 |
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CRC / DFC (Dictionary of Food Compounds) ID | Not Available |
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EAFUS ID | Not Available |
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Dr. Duke ID | Not Available |
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BIGG ID | Not Available |
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KNApSAcK ID | Not Available |
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HET ID | BDT |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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Flavornet ID | Not Available |
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GoodScent ID | Not Available |
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SuperScent ID | Not Available |
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Wikipedia ID | Not Available |
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Phenol-Explorer Metabolite ID | Not Available |
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Duplicate IDS | Not Available |
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Old DFC IDS | Not Available |
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Associated Foods |
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Food | Content Range | Average | Reference |
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Food | | | Reference |
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Biological Effects and Interactions |
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Health Effects / Bioactivities | Not Available |
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Enzymes | Name | Gene Name | UniProt ID |
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3-oxo-5-beta-steroid 4-dehydrogenase | AKR1D1 | P51857 |
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Pathways | |
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Metabolism | Not Available |
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Biosynthesis | Not Available |
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Organoleptic Properties |
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Flavours | Not Available |
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Files |
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MSDS | Not Available |
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References |
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Synthesis Reference | Not Available |
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General Reference | Not Available |
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Content Reference | |
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