| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:28:25 UTC |
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| Update Date | 2020-04-22 15:02:54 UTC |
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| BMDB ID | BMDB0000314 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 3b-Allotetrahydrocortisol |
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| Description | 3b-Allotetrahydrocortisol, also known as reichstein's substance V, 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, 3b-allotetrahydrocortisol is considered to be a steroid. Based on a literature review a small amount of articles have been published on 3b-Allotetrahydrocortisol. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 3b,5a-Tetrahydrocortisol | HMDB | | Allo-3-beta-tetrahydrocortisol | HMDB | | Reichstein'S substance V | HMDB |
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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-[(1S,2S,5S,7S,10S,11S,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 | reichstein substance V |
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| CAS Registry Number | 651-43-4 |
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| SMILES | [H][C@@]12CC[C@](O)(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/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-/m0/s1 |
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| InChI Key | AODPIQQILQLWGS-VSJLKEFSSA-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-beta-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 | 215 °C | 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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