| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:30:17 UTC |
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| Update Date | 2020-03-13 16:21:01 UTC |
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| BMDB ID | BMDB0000412 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 3b,17a-Dihydroxy-5a-androstane |
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| Description | 3b,17a-Dihydroxy-5a-androstane, also known as (3b,5a,17a)-androstane-3,17-diol, belongs to the class of organic compounds known as androgens and derivatives. These are 3-hydroxylated C19 steroid hormones. They are known to favor the development of masculine characteristics. They also show profound effects on scalp and body hair in humans. 3b,17a-Dihydroxy-5a-androstane is an extremely weak basic (essentially neutral) compound (based on its pKa). |
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| Structure | |
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| Synonyms | | Value | Source |
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| (3b,5a,17a)-Androstane-3,17-diol | HMDB | | 5a-Androstane-3b,17a-diol | HMDB |
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| Chemical Formula | C19H32O2 |
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| Average Molecular Weight | 292.4562 |
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| Monoisotopic Molecular Weight | 292.240230268 |
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| IUPAC Name | (2S,5S,14R,15S)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-5,14-diol |
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| Traditional Name | 5a-androstane-3b,17a-diol |
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| CAS Registry Number | 5856-11-1 |
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| SMILES | C[C@]12CCC3C(CCC4C[C@@H](O)CC[C@]34C)C1CC[C@H]2O |
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| InChI Identifier | InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12?,13-,14?,15?,16?,17+,18-,19-/m0/s1 |
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| InChI Key | CBMYJHIOYJEBSB-ILNNWSBUSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as androgens and derivatives. These are 3-hydroxylated C19 steroid hormones. They are known to favor the development of masculine characteristics. They also show profound effects on scalp and body hair in humans. |
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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 | Androstane steroids |
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| Direct Parent | Androgens and derivatives |
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| Alternative Parents | |
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| Substituents | - Androgen-skeleton
- 17-hydroxysteroid
- 3-beta-hydroxysteroid
- Hydroxysteroid
- 3-hydroxysteroid
- Cyclic alcohol
- Secondary alcohol
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- 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 | Not Available |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | Not Available |
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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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