| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:18:48 UTC |
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| Update Date | 2020-05-11 20:56:49 UTC |
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| BMDB ID | BMDB0000037 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Aldosterone |
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| Description | Aldosterone, also known as aldocorten or delta-aldosterone, belongs to the class of organic compounds known as 21-hydroxysteroids. These are steroids carrying a hydroxyl group at the 21-position of the steroid backbone. Aldosterone exists as a solid, possibly soluble (in water), and an extremely weak basic (essentially neutral) compound (based on its pKa) molecule. Aldosterone exists in all living organisms, ranging from bacteria to humans. |
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| Structure | |
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| Synonyms | | Value | Source |
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| (+)-Aldosterone | ChEBI | | (11beta)-11,21-Dihydroxy-3,20-dioxopregn-4-en-18-al | ChEBI | | 11beta,21-Dihydroxy-3,20-dioxo-4-pregnen-18-al | ChEBI | | (11b)-11,21-Dihydroxy-3,20-dioxopregn-4-en-18-al | Generator | | (11Β)-11,21-dihydroxy-3,20-dioxopregn-4-en-18-al | Generator | | 11b,21-Dihydroxy-3,20-dioxo-4-pregnen-18-al | Generator | | 11Β,21-dihydroxy-3,20-dioxo-4-pregnen-18-al | Generator | | Aldosterone, (+-)-isomer | HMDB | | Aldosterone, (11 beta,17 alpha)-isomer | HMDB | | 11beta,21-Dihydroxy-3,20-diketo-4-pregnen-18-al | HMDB | | 11beta,21-Dihydroxy-3,20-diketopregn-4-ene-18-al | HMDB | | 11beta,21-Dihydroxypregn-4-ene-3,18,20-trione | HMDB | | 11Β,21-dihydroxy-3,20-diketo-4-pregnen-18-al | HMDB | | 11Β,21-dihydroxy-3,20-diketopregn-4-ene-18-al | HMDB | | 11Β,21-dihydroxypregn-4-ene-3,18,20-trione | HMDB | | 18-Formyl-11beta,21-dihydroxy-4-pregnene-3,20-dione | HMDB | | 18-Formyl-11β,21-dihydroxy-4-pregnene-3,20-dione | HMDB | | 18-Oxocorticosterone | HMDB | | Aldosterone | HMDB |
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| Chemical Formula | C21H28O5 |
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| Average Molecular Weight | 360.444 |
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| Monoisotopic Molecular Weight | 360.193674006 |
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| IUPAC Name | (1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydroxyacetyl)-2-methyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-15-carbaldehyde |
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| Traditional Name | (1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydroxyacetyl)-2-methyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-15-carbaldehyde |
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| CAS Registry Number | 52-39-1 |
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| SMILES | [H][C@@]12CC[C@H](C(=O)CO)[C@]1(C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C)C=O |
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| InChI Identifier | InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1 |
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| InChI Key | PQSUYGKTWSAVDQ-ZVIOFETBSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as 21-hydroxysteroids. These are steroids carrying a hydroxyl group at the 21-position of the steroid backbone. |
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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 | Hydroxysteroids |
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| Direct Parent | 21-hydroxysteroids |
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| Alternative Parents | |
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| Substituents | - Progestogin-skeleton
- 21-hydroxysteroid
- 20-oxosteroid
- Pregnane-skeleton
- 18-oxosteroid
- 3-oxo-delta-4-steroid
- 3-oxosteroid
- Oxosteroid
- 11-beta-hydroxysteroid
- 11-hydroxysteroid
- Delta-4-steroid
- Cyclohexenone
- Cyclic alcohol
- Alpha-hydroxy ketone
- Ketone
- Secondary alcohol
- Cyclic ketone
- Alcohol
- Hydrocarbon derivative
- Organooxygen compound
- Organic oxide
- Organic oxygen compound
- Carbonyl group
- Primary alcohol
- Aldehyde
- 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 | Detected 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
- Mitochondria
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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 | 166.5 °C | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | 0.0512 mg/mL at 37 °C | Not Available | | LogP | 1.08 | HANSCH,C ET AL. (1995) |
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| Predicted Properties | |
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| Spectra |
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| Spectra | |
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