| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:29:10 UTC |
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| Update date | 2017-01-19 02:36:16 UTC |
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| FoodComEx ID | PC000194 |
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| FoodDB Record | FDB022307 |
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| Chemical Information |
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| Name | Androstanedione |
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| Description | Androstanedione is a steroid metabolite and a procursor of both testosterone and estrone. It is a product of enzyme 3alpha-hydroxysteroid dehydrogenase [EC 1.1.1.50] in pathway Androgen and estrogen metabolism (KEGG). [HMDB] |
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| CAS Number | 846-46-8 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| (5a)-Androstane-3,17-dione | hmdb | | 5-alpha-androstane-3,17-dione | hmdb | | 5a-Androsta-3,17-dione | hmdb | | 5a-Androstan-3,17-dione | hmdb | | 5a-Androstane-3, 17-dione | hmdb | | 5a-Androstane-3,17-dione | hmdb | | 5a-Androstanedione | hmdb | | 5alpha-Androstane-3,17-dione | hmdb | | 5α-androstane-3,17-dione | Generator | | androstane-3,17-dione | hmdb | | Androstane-3,7-dione | hmdb | | Androstanedione | hmdb |
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| Chemical Formula | C19H28O2 |
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| IUPAC name | (1S,2S,7S,10R,11S,15S)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane-5,14-dione |
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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/h12,14-16H,3-11H2,1-2H3/t12-,14-,15-,16-,18-,19-/m0/s1 |
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| InChI Key | RAJWOBJTTGJROA-WZNAKSSCSA-N |
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| Isomeric SMILES | [H][C@@]12CCC(=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 | 288.4244 |
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| Monoisotopic Molecular Weight | 288.20893014 |
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| Chemical Taxonomy |
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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-5-alpha-steroid
- Oxosteroid
- 17-oxosteroid
- 3-oxosteroid
- Cyclic ketone
- Ketone
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aliphatic homopolycyclic compound
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| Molecular Framework | Aliphatic homopolycyclic compounds |
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| External Descriptors | |
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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Melting Point | Not Available | |
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| Foods of Origin |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Production Data |
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| Production Method | commercial |
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| Production Method Reference | Not Available |
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| Production Method Reference File | Not Available |
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| Quantity Available | Production upon request, up to 2 g |
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| Delivery Time | Not Available |
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| Storage Form | solid |
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| Storage Conditions | -80°C |
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| Stability | Not Available |
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| Purity | Not Available |
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| Spectra |
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| Spectral Data Upon Request | Not Available |
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| Provider Information |
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| Commercial Vendors |
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| Toronto Research Chemicals | A637610 |
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