Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:09:42 UTC |
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Update date | 2019-11-26 03:05:04 UTC |
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Primary ID | FDB011544 |
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Secondary Accession Numbers | |
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Chemical Information |
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FooDB Name | Testosterone |
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Description | Testosterone-d3 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. Based on a literature review a significant number of articles have been published on Testosterone-d3. |
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CAS Number | 58-22-0 |
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Structure | |
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Synonyms | |
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Predicted Properties | |
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Chemical Formula | C19H28O2 |
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IUPAC name | 14-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one |
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InChI Identifier | InChI=1S/C19H28O2/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/h11,14-17,21H,3-10H2,1-2H3 |
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InChI Key | MUMGGOZAMZWBJJ-UHFFFAOYSA-N |
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Isomeric SMILES | CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2O |
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Average Molecular Weight | 288.4244 |
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Monoisotopic Molecular Weight | 288.20893014 |
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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-oxo-delta-4-steroid
- 3-oxosteroid
- Hydroxysteroid
- Oxosteroid
- 17-hydroxysteroid
- Delta-4-steroid
- Cyclohexenone
- Cyclic alcohol
- Secondary alcohol
- Ketone
- Cyclic ketone
- Organooxygen compound
- Alcohol
- Carbonyl group
- Organic oxygen compound
- Hydrocarbon derivative
- Organic oxide
- 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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Ontology | No ontology term |
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Physico-Chemical Properties |
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Physico-Chemical Properties - Experimental | |
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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 | Testosterone, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-074i-0390000000-716c73dd5d52f9cbab37 | Spectrum | Predicted GC-MS | Testosterone, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Testosterone, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Testosterone, TMS_1_2, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Testosterone, TBDMS_1_2, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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MS/MS | Type | Description | Splash Key | View |
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MS/MS | LC-MS/MS Spectrum - 35V, Positive | splash10-000j-6590000000-90559b7f14a4d7b6ae46 | 2021-09-20 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-000i-0090000000-ac5ada836b20cb197ccb | 2021-10-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0229-0890000000-8fcbb72c7bdeea1aac2c | 2021-10-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-06tf-6900000000-d90e7678475c3781f386 | 2021-10-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000i-0090000000-383f8ad782110ec64fbf | 2021-10-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-000i-0090000000-383f8ad782110ec64fbf | 2021-10-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-000i-0090000000-e43162eb38a15e8045b7 | 2021-10-12 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | 5791 |
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ChEMBL ID | CHEMBL386630 |
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KEGG Compound ID | C00535 |
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Pubchem Compound ID | 6013 |
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Pubchem Substance ID | Not Available |
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ChEBI ID | 17347 |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | DB00624 |
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HMDB ID | HMDB00234 |
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CRC / DFC (Dictionary of Food Compounds) ID | BCH30-O:GQL45-N |
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EAFUS ID | Not Available |
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Dr. Duke ID | TESTOSTERONE |
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BIGG ID | 35280 |
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KNApSAcK ID | C00003675 |
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HET ID | TES |
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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 | Testosterone |
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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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Biological Effects and Interactions |
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Health Effects / Bioactivities | |
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Enzymes | |
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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 | show |
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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 | — Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).
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