| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:37:59 UTC |
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| Update Date | 2020-04-22 15:05:45 UTC |
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| BMDB ID | BMDB0000879 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Tetrahydrodeoxycorticosterone |
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| Description | Tetrahydrodeoxycorticosterone, also known as 5alpha-thdoc or 5α-thdoc, belongs to the class of organic compounds known as 21-hydroxysteroids. These are steroids carrying a hydroxyl group at the 21-position of the steroid backbone. Based on a literature review a significant number of articles have been published on Tetrahydrodeoxycorticosterone. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 5alpha-THDOC | Kegg | | 3alpha,21-Dihydroxy-5alpha-pregnan-20-one | Kegg | | 5a-THDOC | Generator | | 5Α-thdoc | Generator | | 3a,21-Dihydroxy-5a-pregnan-20-one | Generator | | 3Α,21-dihydroxy-5α-pregnan-20-one | Generator | | 3alpha,21-Dihydroxy-5beta-pregnan-20-one | HMDB | | 5-alpha-THDOC | HMDB | | Allotetrahydrodeoxycorticosterone | HMDB | | Deoxycorticosterone-21-aminopropane | HMDB | | Tetrahydro-11-deoxycorticosterone | HMDB | | 3 alpha,21-Dihydroxy-5 beta-pregnan-20-one | HMDB | | 3 alpha,5 beta-Tetrahydrodeoxycorticosterone | HMDB | | 3 beta,5 alpha-Tetrahydrodeoxycorticosterone | HMDB | | 3,21-Dihydroxypregnan-20-one | HMDB | | 5alpha-Pregnan-3alpha,21-diol-20-one | HMDB | | 5alpha-Pregnane-3alpha,21-diol-20-one | HMDB | | THDOC | HMDB | | Pregnane-3,21-diol-20-one | HMDB | | Tetrahydrodeoxycorticosterone, (3alpha,5alpha)-isomer | HMDB | | Tetrahydrodeoxycorticosterone, (3beta,5alpha)-isomer | HMDB | | Tetrahydrodesoxycorticosterone | HMDB |
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| Chemical Formula | C21H34O3 |
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| Average Molecular Weight | 334.4929 |
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| Monoisotopic Molecular Weight | 334.250794954 |
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| IUPAC Name | 2-hydroxy-1-[(1S,2S,5R,7S,10R,11S,14S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]ethan-1-one |
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| Traditional Name | tetrahydrodeoxycorticosterone |
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| CAS Registry Number | 567-03-3 |
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| SMILES | [H][C@@]12CC[C@H](C(=O)CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C |
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| InChI Identifier | InChI=1S/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14+,15-,16-,17-,18+,20-,21-/m0/s1 |
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| InChI Key | CYKYBWRSLLXBOW-GDYGHMJCSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as 21-hydroxysteroids. These are steroids carrying a hydroxyl group at the 21-position of the steroid backbone. |
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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 | Hydroxysteroids |
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| Direct Parent | 21-hydroxysteroids |
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| Alternative Parents | |
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| Substituents | - Progestogin-skeleton
- 21-hydroxysteroid
- Pregnane-skeleton
- 20-oxosteroid
- 3-hydroxysteroid
- 3-alpha-hydroxysteroid
- Oxosteroid
- Alpha-hydroxy ketone
- Cyclic alcohol
- Secondary alcohol
- Ketone
- Organic oxygen compound
- Organooxygen compound
- Primary alcohol
- 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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| Status | Expected but not Quantified |
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| Origin | |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | - Cell membrane
- Cytoplasm
- Membrane
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| Physical Properties |
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| State | Solid |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | |
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