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 | Synonym | Source |
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(+-)-8-Iso-testosterone | HMDB | (+-)-Retrotestosterone | HMDB | (+-)-Testosterone | HMDB | (+)-Testosterone | HMDB | (17b)-17-hydroxy-androst-4-en-3-one | biospider | (17beta)-17-Hydroxyandrost-4-en-3-one | biospider | 13-Iso-testosterone | HMDB | 17-beta-Hydroxyandrost-4-en-3-one | biospider | 17-Hydroxy-(17-beta)-androst-4-en-3-one | biospider | 17-Hydroxy-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-one | HMDB | 17-Hydroxy-androst-4-en-3-one | HMDB | 17-Hydroxy-D4-androsten-3-one | HMDB | 17a-Hydroxy-(13a)-androst-4-en-3-one | HMDB | 17a-Hydroxy-13a-androst-4-en-3-one | HMDB | 17a-Hydroxy-14b-androst-4-en-3-one | HMDB | 17a-Hydroxy-androst-4-en-3-one | HMDB | 17b-Hydroxy-(10a)-androst-4-en-3-one | HMDB | 17b-Hydroxy-(13a)-androst-4-en-3-one | HMDB | 17b-Hydroxy-(8a,10a)-androst-4-en-3-one | HMDB | 17b-Hydroxy-(8a)-androst-4-en-3-one | HMDB | 17b-Hydroxy-(9b,10a)-androst-4-en-3-one | HMDB | 17b-Hydroxy-(9b)-androst-4-en-3-one | HMDB | 17b-Hydroxy-13a-androst-4-en-3-one | HMDB | 17b-hydroxy-4-androsten-3-one | biospider | 17b-Hydroxy-8a-androst-4-en-3-one | HMDB | 17b-Hydroxy-androst-4-en-3-on | HMDB | 17b-hydroxy-androst-4-en-3-one | biospider | 17b-Hydroxy-D4-androsten-3-one | biospider | 17b-Hydroxyandrost-4-en-3-one | biospider | 17b-Hydroxyandrost-4-ene-3-one | biospider | 17b-Testosterone | biospider | 17beta-Hydroxy-3-oxo-4-androstene | biospider | 17beta-hydroxy-4-androsten-3-one | biospider | 17beta-Hydroxyandrost-4-ene-3-one | biospider | 17beta-Testosterone | manual | 17β-hydroxy-4-androsten-3-one | Generator | 4-Androsten-17b-ol-3-one | Generator | 4-androsten-17beta-ol-3-one | biospider | 4-Androsten-17β-ol-3-one | Generator | 4-Androsten-3-one-17b-ol | biospider | 4-androstene-17beta-ol-3-one | biospider | 8-Iso-testosterone | HMDB | 9b-Testosterone | HMDB | 9b,10a-Testosterone | HMDB | Androderm | ChEBI | AndroGel | HMDB | Androlin | HMDB | Andronaq | HMDB | Andropatch | HMDB | Androst-4-en-17b-ol-3-one | biospider | Androst-4-en-17beta-ol-3-one | biospider | Androst-4-ene-17b-ol-3-one | biospider | Andrusol | HMDB | Atmos | db_source | Cristerona t | HMDB | D4-Androsten-17b-ol-3-one | HMDB | Epitestosteron | HMDB | Geno-cristaux gremy | HMDB | Homosteron | HMDB | Homosterone | HMDB | Lumitestosteron | HMDB | Mertestate | HMDB | Neotestis | HMDB | Oreton | HMDB | Orquisteron | HMDB | Perandren | HMDB | Percutacrine androgenique | HMDB | Primotest | HMDB | Primoteston | HMDB | rac-17b-Hydroxy-(13a)androst-4-en-3-one | HMDB | rac-17b-Hydroxy-(8a)-androst-4-en-3-one | HMDB | rac-17b-Hydroxy-(9b,10a)androst-4-en-3-one | HMDB | rac-17b-Hydroxy-androst-4-en-3-one | HMDB | Relibra | HMDB | Retrotestosterone | HMDB | Sustanon | HMDB | Sustanone | HMDB | Sustason 250 | HMDB | Synandrol F | HMDB | Teslen | HMDB | Testandrone | HMDB | Testiculosterone | HMDB | Testim | biospider | Testobase | HMDB | Testoderm | HMDB | Testogel | HMDB | Testolent | HMDB | Testolin | HMDB | Testopropon | HMDB | Testosteroid | HMDB | Testosteron | ChEBI | Testosterona | ChEBI | Testosterone, BAN, INN, USAN | db_source | Testosteronum | ChEBI | Testoviron schering | HMDB | Testoviron t | HMDB | Testro aq | HMDB | Testrone | HMDB | Testryl | HMDB | Tostrelle | HMDB | Tostrex | HMDB | Viatrel | HMDB | Virilon | biospider | Virormone | biospider | Virosterone | biospider |
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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 - Experimental |
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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 | C 79.12%; H 9.78%; O 11.09% | DFC |
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Melting Point | Mp 155° | DFC |
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Boiling Point | Not Available | |
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Experimental Water Solubility | 0.0234 mg/mL at 25 oC | YALKOWSKY,SH & HE,Y (2003) |
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Experimental logP | 3.32 | HANSCH,C ET AL. (1995) |
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Experimental pKa | Not Available | |
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Isoelectric point | Not Available | |
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Charge | 0 | |
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Optical Rotation | [a]D +109 (c, 4 in EtOH) | DFC |
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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 | 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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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 | |
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Enzymes | Name | Gene Name | UniProt ID |
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UDP-glucuronosyltransferase 2B28 | UGT2B28 | Q9BY64 | UDP-glucuronosyltransferase 2B4 | UGT2B4 | P06133 | UDP-glucuronosyltransferase 1-4 | UGT1A4 | P22310 | UDP-glucuronosyltransferase 2B10 | UGT2B10 | P36537 | UDP-glucuronosyltransferase 2B7 | UGT2B7 | P16662 | UDP-glucuronosyltransferase 2B15 | UGT2B15 | P54855 | UDP-glucuronosyltransferase 2A1 | UGT2A1 | Q9Y4X1 | UDP-glucuronosyltransferase 1-1 | UGT1A1 | P22309 | UDP-glucuronosyltransferase 1-9 | UGT1A9 | O60656 | UDP-glucuronosyltransferase 1-8 | UGT1A8 | Q9HAW9 | UDP-glucuronosyltransferase 1-3 | UGT1A3 | P35503 | UDP-glucuronosyltransferase 1-10 | UGT1A10 | Q9HAW8 | UDP-glucuronosyltransferase 2B17 | UGT2B17 | O75795 | UDP-glucuronosyltransferase 1-6 | UGT1A6 | P19224 | UDP-glucuronosyltransferase 1-5 | UGT1A5 | P35504 | UDP-glucuronosyltransferase 2B11 | UGT2B11 | O75310 | UDP-glucuronosyltransferase 1-7 | UGT1A7 | Q9HAW7 | Sex hormone-binding globulin | SHBG | P04278 | UDP-glucuronosyltransferase 2A3 | UGT2A3 | Q6UWM9 | Cytochrome P450, family 1, subfamily A, polypeptide 1 | CYP1A1 | A0N0X8 | Cytochrome P450 2D6 | CYP2D6 | Q6NWU0 | Glutathione S-transferase A3 | GSTA3 | Q16772 | Estrogen sulfotransferase | SULT1E1 | P49888 | 3-oxo-5-beta-steroid 4-dehydrogenase | AKR1D1 | P51857 | 3-oxo-5-alpha-steroid 4-dehydrogenase 2 | SRD5A2 | P31213 | 3-oxo-5-alpha-steroid 4-dehydrogenase 1 | SRD5A1 | P18405 | Testosterone 17-beta-dehydrogenase 3 | HSD17B3 | P37058 | Androgen receptor | AR | P10275 | Natriuretic peptides B | NPPB | P16860 | Polyprenol reductase | SRD5A3 | Q9H8P0 |
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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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