| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 23:25:40 UTC |
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| Update Date | 2020-04-22 15:18:29 UTC |
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| BMDB ID | BMDB0006759 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 3a-Hydroxy-5b-pregnane-20-one |
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| Description | 3a-Hydroxy-5b-pregnane-20-one belongs to the class of organic compounds known as gluco/mineralocorticoids, progestogins and derivatives. These are steroids with a structure based on a hydroxylated prostane moiety. 3a-Hydroxy-5b-pregnane-20-one is possibly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 3a-Hydroxy-5b-pregnane-20-one can be converted into 5a-pregnane-3,20-dione; which is catalyzed by the enzyme aldo-keto reductase family 1 member C4. In cattle, 3a-hydroxy-5b-pregnane-20-one is involved in the metabolic pathway called the steroidogenesis pathway. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 3alpha-Hydroxy-5beta-pregnane-20-one | HMDB |
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| Chemical Formula | C21H34O2 |
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| Average Molecular Weight | 318.4935 |
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| Monoisotopic Molecular Weight | 318.255880332 |
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| IUPAC Name | 1-[(2S,5R,7R,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 | pregnanolone |
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| CAS Registry Number | Not Available |
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| SMILES | [H][C@]12CCC3C4CC[C@H](C(C)=O)[C@@]4(C)CCC3[C@@]1(C)CC[C@@H](O)C2 |
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| InChI Identifier | InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15-,16?,17-,18?,19?,20+,21-/m1/s1 |
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| InChI Key | AURFZBICLPNKBZ-KCZNCWLVSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as gluco/mineralocorticoids, progestogins and derivatives. These are steroids with a structure based on a hydroxylated prostane moiety. |
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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 | Pregnane steroids |
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| Direct Parent | Gluco/mineralocorticoids, progestogins and derivatives |
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| Alternative Parents | |
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| Substituents | - Progestogin-skeleton
- 20-oxosteroid
- 3-hydroxysteroid
- Hydroxysteroid
- 3-alpha-hydroxysteroid
- Oxosteroid
- Cyclic alcohol
- Ketone
- Secondary alcohol
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Carbonyl group
- Alcohol
- 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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