| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 23:19:46 UTC |
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| Update Date | 2020-04-22 15:16:43 UTC |
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| BMDB ID | BMDB0006031 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 11-Ketoetiocholanolone |
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| Description | 11-Ketoetiocholanolone 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 a significant number of articles have been published on 11-Ketoetiocholanolone. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 3alpha-Hydroxy-5beta-androstane-11,17-dione | Kegg | | 3a-Hydroxy-5b-androstane-11,17-dione | Generator | | 3Α-hydroxy-5β-androstane-11,17-dione | Generator | | (3alpha,5beta)-3-Hydroxy-androstane-11,17-dione | HMDB | | 11-Oxoaetiocholanolone | HMDB | | 11-Oxoetiocholanolone | HMDB, MeSH | | 3-Hydroxyandrostane-11,17-dione | HMDB | | 3alpha-Hydroxy-11,17-dioxo-5beta-androstane | HMDB | | 5beta-Androstan-3alpha-ol-11,17-dione | HMDB | | 11-O-ETIO | MeSH, 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 | (1S,2S,5R,7R,10S,11S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-14,17-dione |
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| Traditional Name | 11-oxoetiocholanolone |
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| CAS Registry Number | 739-27-5 |
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| SMILES | [H][C@@]12CCC(=O)[C@@]1(C)CC(=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/C19H28O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h11-14,17,20H,3-10H2,1-2H3/t11-,12-,13+,14+,17-,18+,19+/m1/s1 |
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| InChI Key | IUNYGQONJQTULL-UKZLPJRTSA-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
- 3-alpha-hydroxysteroid
- Oxosteroid
- 17-oxosteroid
- 11-oxosteroid
- Hydroxysteroid
- Cyclic alcohol
- Secondary alcohol
- Ketone
- Organic oxygen compound
- Organooxygen compound
- Hydrocarbon derivative
- Carbonyl group
- Organic oxide
- Alcohol
- Aliphatic homopolycyclic compound
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| Molecular Framework | Aliphatic homopolycyclic compounds |
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| External Descriptors | |
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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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