| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:39:01 UTC |
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| Update Date | 2020-04-22 15:06:05 UTC |
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| BMDB ID | BMDB0000949 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Tetrahydrocortisol |
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| Description | Tetrahydrocortisol 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. Tetrahydrocortisol is possibly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Tetrahydrocortisol can be converted into dihydrocortisol; which is mediated by the enzyme aldo-keto reductase family 1 member C4. In cattle, tetrahydrocortisol is involved in the metabolic pathway called the steroidogenesis pathway. Tetrahydrocortisol is a potentially toxic compound. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 2-Hydroxy-1-(3,11,17-trihydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-ethanone | HMDB | | 3a,11b,17,21-Tetrahydroxy-5b-pregnan-20-one | HMDB | | 3b,11b,17,21-Tetrahydroxy-5b-pregnan-20-one | HMDB | | 3b,11b,17a,21-Tetrahydroxy-5b-pregnan-20-ON | HMDB | | 5b-Tetrahydrocortisol | HMDB, Generator | | Dihydrocortison | HMDB | | tetrahydro-Cortisol | HMDB | | Urocortisol | HMDB, ChEBI | | 3alpha,5beta-Tetrahydrocortisol | ChEBI | | 5beta-Pregnane-3alpha,11beta,17alpha,21-tetrol-20-one | ChEBI | | 5beta-Tetrahydrocortisol | ChEBI | | Tetrahydrohydrocortisone | ChEBI | | 3a,5b-Tetrahydrocortisol | Generator | | 3Α,5β-tetrahydrocortisol | Generator | | 5b-Pregnane-3a,11b,17a,21-tetrol-20-one | Generator | | 5Β-pregnane-3α,11β,17α,21-tetrol-20-one | Generator | | 5Β-tetrahydrocortisol | Generator |
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| Chemical Formula | C21H34O5 |
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| Average Molecular Weight | 366.4917 |
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| Monoisotopic Molecular Weight | 366.240624198 |
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| IUPAC Name | 2-hydroxy-1-[(2S,5R,14R,15S,17S)-5,14,17-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]ethan-1-one |
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| Traditional Name | 2-hydroxy-1-[(2S,5R,14R,15S,17S)-5,14,17-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]ethanone |
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| CAS Registry Number | 53-02-1 |
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| SMILES | C[C@]12C[C@H](O)C3C(CCC4C[C@H](O)CC[C@]34C)C1CC[C@]2(O)C(=O)CO |
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| InChI Identifier | InChI=1S/C21H34O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-16,18,22-24,26H,3-11H2,1-2H3/t12?,13-,14?,15?,16+,18?,19+,20+,21+/m1/s1 |
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| InChI Key | AODPIQQILQLWGS-OBRSLYEHSA-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
- 17-hydroxysteroid
- Tertiary alcohol
- Alpha-hydroxy ketone
- Cyclic alcohol
- Ketone
- Secondary alcohol
- Polyol
- 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 | Not Available |
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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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