| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:30:55 UTC |
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| Update Date | 2020-04-22 15:03:39 UTC |
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| BMDB ID | BMDB0000449 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 5a-Tetrahydrocorticosterone |
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| Description | 5a-Tetrahydrocorticosterone, also known as allothb, 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, 5a-tetrahydrocorticosterone is considered to be a steroid. Based on a literature review a small amount of articles have been published on 5a-Tetrahydrocorticosterone. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 3a,11b,21-Trihydroxy-5a-pregnan-20-one | HMDB | | 3a,5a-Tetrahydrocorticosterone | HMDB | | 5a-Pregnane-3a,11b,21-triol-20-one | HMDB | | Allotetrahydrocorticosterone | HMDB | | 5Α-tetrahydrocorticosterone | HMDB | | Tetrahydrocorticosterone | HMDB | | Tetrahydrocorticosterone, (3alpha,5beta,11alpha)-isomer | HMDB | | Tetrahydrocorticosterone, (3beta,5alpha,11beta)-isomer | HMDB | | Tetrahydrocorticosterone, (3beta,5beta)-isomer | HMDB | | Tetrahydrocorticosterone, (5alpha)-isomer | HMDB | | 3 beta,11 beta,21-Trihydroxy-5 alpha-pregnan-20-one | HMDB | | AlloTHB | HMDB | | Allopregnane-3 beta,11 beta,21-triol-20-one | HMDB | | Tetrahydrocorticosterone, (3alpha,5alpha)-isomer | HMDB | | 5a-Tetrahydrocorticosterone | Generator |
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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,7S,10S,11S,14S,15S,17S)-5,17-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]-2-hydroxyethan-1-one |
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| Traditional Name | allotetrahydrocorticosterone |
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| CAS Registry Number | 600-63-5 |
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| SMILES | [H][C@@]12CC[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[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/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-17,19,22-24H,3-11H2,1-2H3/t12-,13+,14-,15-,16+,17-,19+,20-,21-/m0/s1 |
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| InChI Key | RHQQHZQUAMFINJ-NZTKVECHSA-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
- 11-beta-hydroxysteroid
- 11-hydroxysteroid
- 3-alpha-hydroxysteroid
- Cyclic alcohol
- Alpha-hydroxy ketone
- Ketone
- Secondary alcohol
- Alcohol
- Hydrocarbon derivative
- Organooxygen compound
- Organic oxide
- Organic oxygen compound
- Primary alcohol
- Carbonyl group
- Aliphatic homopolycyclic compound
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| Molecular Framework | Aliphatic homopolycyclic compounds |
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| External Descriptors | - C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives (LMST02030142 )
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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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