| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 23:19:26 UTC |
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| Update Date | 2020-04-22 15:16:36 UTC |
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| BMDB ID | BMDB0005972 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Tetrahydrodeoxycortisol |
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| Description | Tetrahydrodeoxycortisol 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. Thus, tetrahydrodeoxycortisol is considered to be a steroid conjugate. Based on a literature review a significant number of articles have been published on Tetrahydrodeoxycortisol. |
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| Structure | |
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| Synonyms | | Value | Source |
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| Tetrahydro-11-deoxycortisol | Kegg | | 11-Deoxytetrahydrocortisol | HMDB | | 3alpha,17alpha,21-Trihydroxy-5beta-pregnan-20-one | HMDB | | 5beta-Pregnane-3alpha,17alpha,21-triol-20-one | HMDB | | tetrahydro-S | HMDB | | Tetrahydrocortexolone | HMDB | | 5 beta-Pregnane-3alpha,17alpha,21-triol-20-one | MeSH, HMDB | | tetrahydro Compound S | MeSH, HMDB | | 3 alpha, 17,21-Trihydroxy-5 beta-pregnan-20-one | MeSH, HMDB | | tetrahydro-Reichstein's substance S | MeSH, HMDB | | Trihydroxypregnanone | MeSH, HMDB | | 3alpha,5beta-THS | MeSH, HMDB |
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| Chemical Formula | C21H34O4 |
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| Average Molecular Weight | 350.4923 |
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| Monoisotopic Molecular Weight | 350.245709576 |
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| IUPAC Name | 1-[(1S,2S,5R,7R,10R,11S,14R,15S)-5,14-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]-2-hydroxyethan-1-one |
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| Traditional Name | tetrahydro-s |
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| CAS Registry Number | 68-60-0 |
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| SMILES | [H][C@@]12CC[C@](O)(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/C21H34O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-17,22-23,25H,3-12H2,1-2H3/t13-,14-,15-,16+,17+,19+,20+,21+/m1/s1 |
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| InChI Key | UPTAPIKFKZGAGM-FAIYVORSSA-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
- 20-oxosteroid
- Pregnane-skeleton
- 3-hydroxysteroid
- Oxosteroid
- 3-alpha-hydroxysteroid
- 17-hydroxysteroid
- Cyclic alcohol
- Tertiary alcohol
- Alpha-hydroxy ketone
- Ketone
- Secondary alcohol
- Primary alcohol
- Alcohol
- Hydrocarbon derivative
- Organooxygen compound
- Organic oxide
- Organic oxygen 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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| 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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