| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:28:35 UTC |
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| Update Date | 2020-05-11 18:23:18 UTC |
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| BMDB ID | BMDB0000322 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 16-Oxoandrostenediol |
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| Description | 16-Oxoandrostenediol 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. Based on a literature review very few articles have been published on 16-Oxoandrostenediol. |
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| Structure | |
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| Synonyms | | Value | Source |
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| (3b,17b)-3b,17b-Dihydroxyandrost-5-en-16-one | HMDB | | 3b,17b-Dihydroxy-androst-5-en-16-one | HMDB | | 3b,17b-Dihydroxyandrost-5-en-16-one | HMDB | | 3beta,17beta-Dihydroxy-androst-5-en-16-one | HMDB | | 5-Androsten-3b,17b-diol-16-one | HMDB | | Androst-5-ene-3b,17b-diol-16-one | HMDB |
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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 | (2R,5S,14R,15S)-5,14-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-13-one |
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| Traditional Name | 5-androsten-3b,17b-diol-16-one |
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| CAS Registry Number | 1159-66-6 |
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| SMILES | C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CC(=O)[C@@H]2O |
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| InChI Identifier | InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h3,12-15,17,20,22H,4-10H2,1-2H3/t12-,13?,14?,15?,17-,18-,19-/m0/s1 |
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| InChI Key | AKRBLZKRYPEVIK-IACDPKRHSA-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-hydroxy-delta-5-steroid
- 3-hydroxysteroid
- 17-hydroxysteroid
- 3-beta-hydroxysteroid
- 3-beta-hydroxy-delta-5-steroid
- Oxosteroid
- 16-oxosteroid
- Hydroxysteroid
- Delta-5-steroid
- Cyclic alcohol
- Cyclic ketone
- Secondary alcohol
- Ketone
- Organic oxygen compound
- Organooxygen compound
- Carbonyl group
- Hydrocarbon derivative
- Alcohol
- Organic oxide
- 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 | 203 - 205 °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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