| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:28:14 UTC |
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| Update Date | 2020-04-22 15:02:52 UTC |
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| BMDB ID | BMDB0000309 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 3a,16b-Dihydroxyandrostenone |
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| Description | 3a,16b-Dihydroxyandrostenone 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. 3a,16b-Dihydroxyandrostenone is an extremely weak basic (essentially neutral) compound (based on its pKa). |
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| Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C19H28O3 |
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| Average Molecular Weight | 304.4238 |
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| Monoisotopic Molecular Weight | 304.203844762 |
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| IUPAC Name | (1S,2S,10S,11S,13S,15R)-5,13-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-4-en-3-one |
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| Traditional Name | 3a,16b-dihydroxyandrostenone |
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| CAS Registry Number | 60828-06-0 |
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| SMILES | [H][C@@]12C[C@H](O)C[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2CC(O)=CC(=O)[C@]12C |
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| InChI Identifier | InChI=1S/C19H28O3/c1-18-6-5-15-14(16(18)8-13(21)10-18)4-3-11-7-12(20)9-17(22)19(11,15)2/h9,11,13-16,20-21H,3-8,10H2,1-2H3/t11?,13-,14+,15-,16-,18+,19-/m0/s1 |
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| InChI Key | CUPQSMZELNNSIR-AATVIRSZSA-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
- 3-hydroxysteroid
- Hydroxysteroid
- 1-oxosteroid
- 16-hydroxysteroid
- 16-beta-hydroxysteroid
- Oxosteroid
- Cyclohexenone
- Cyclic alcohol
- Vinylogous acid
- Ketone
- Secondary alcohol
- Enol
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxygen compound
- Carbonyl group
- Organic oxide
- 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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