Record Information |
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Version | 5.0 |
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Status | Detected and Quantified |
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Creation Date | 2005-11-16 15:48:42 UTC |
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Update Date | 2022-03-07 02:49:00 UTC |
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HMDB ID | HMDB0000268 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Tetrahydrocorticosterone |
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Description | Tetrahydrocorticosterone 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. Thus, tetrahydrocorticosterone is considered to be a steroid lipid molecule. Tetrahydrocorticosterone is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Tetrahydrocorticosterone is one of the major urinary metabolites from corticosterone. Premenopausal patients with early breast cancer excrete subnormal amounts of tetrahydrocorticosterone as compared with the normal subjects of corresponding ages (PMID: 1133844 ). |
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Structure | [H][C@@]12CC[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C InChI=1S/C21H34O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-17,19,22-24H,3-11H2,1-2H3/t12-,13-,14+,15+,16-,17+,19-,20+,21+/m1/s1 |
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Synonyms | Value | Source |
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(3alpha,5beta,11beta)-3,11,21-Trihydroxypregnan-20-one | HMDB | (3α,5β,11β)-3,11,21-Trihydroxypregnan-20-one | HMDB | 3alpha,11beta,21-Trihydroxy-5beta-pregnan-20-one | HMDB | 3alpha,5beta-Tetrahydrocorticosterone | HMDB | 3α,11β,21-Trihydroxy-5β-pregnan-20-one | HMDB | 3α,5β-Tetrahydrocorticosterone | HMDB | 5beta-Pregnane-3alpha,11beta,21-triol-20-one | HMDB | 5β-Pregnane-3α,11β,21-triol-20-one | HMDB | THB | HMDB | Tetrahydrocorticosterone | HMDB |
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Chemical Formula | C21H34O4 |
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Average Molecular Weight | 350.4923 |
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Monoisotopic Molecular Weight | 350.245709576 |
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IUPAC Name | 1-[(1S,2S,5R,7R,10S,11S,14S,15S,17S)-5,17-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-2-hydroxyethan-1-one |
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Traditional Name | 1-[(1S,2S,5R,7R,10S,11S,14S,15S,17S)-5,17-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-2-hydroxyethanone |
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CAS Registry Number | 68-42-8 |
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SMILES | [H][C@@]12CC[C@H](C(=O)CO)[C@@]1(C)C[C@H](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/C21H34O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-17,19,22-24H,3-11H2,1-2H3/t12-,13-,14+,15+,16-,17+,19-,20+,21+/m1/s1 |
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InChI Key | RHQQHZQUAMFINJ-DTDWNVJFSA-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
- 3-hydroxysteroid
- Oxosteroid
- 11-beta-hydroxysteroid
- 11-hydroxysteroid
- 3-alpha-hydroxysteroid
- Cyclic alcohol
- Alpha-hydroxy ketone
- Ketone
- Secondary alcohol
- Alcohol
- Hydrocarbon derivative
- Organooxygen compound
- Organic oxide
- Organic oxygen compound
- Primary alcohol
- Carbonyl group
- Aliphatic homopolycyclic compound
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Molecular Framework | Aliphatic homopolycyclic compounds |
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External Descriptors | - 21-hydroxy steroid (CHEBI:9481 )
- C21 steroids (gluco/mineralocorticoids, progestogens) and derivatives (C05476 )
- C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives (LMST02030100 )
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Ontology |
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Physiological effect | Not Available |
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Disposition | |
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Process | |
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Role | |
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Physical Properties |
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State | Solid |
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Experimental Molecular 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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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | | Show more...
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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Tetrahydrocorticosterone,1TMS,isomer #1 | C[C@]12C[C@H](O)[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO[Si](C)(C)C | 3123.7 | Semi standard non polar | 33892256 | Tetrahydrocorticosterone,1TMS,isomer #2 | C[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO | 3062.5 | Semi standard non polar | 33892256 | Tetrahydrocorticosterone,1TMS,isomer #3 | C[C@]12C[C@H](O)[C@H]3[C@@H](CC[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO | 3126.9 | Semi standard non polar | 33892256 | Tetrahydrocorticosterone,1TMS,isomer #4 | C[C@]12C[C@H](O)[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CCC2=C(CO)O[Si](C)(C)C | 3094.7 | Semi standard non polar | 33892256 | Tetrahydrocorticosterone,1TMS,isomer #5 | C[C@]12C[C@H](O)[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=CO)O[Si](C)(C)C | 3070.6 | Semi standard non polar | 33892256 | Tetrahydrocorticosterone,2TMS,isomer #1 | C[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO[Si](C)(C)C | 3021.3 | Semi standard non polar | 33892256 | Tetrahydrocorticosterone,2TMS,isomer #2 | C[C@]12C[C@H](O)[C@H]3[C@@H](CC[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO[Si](C)(C)C | 3103.3 | Semi standard non polar | 33892256 | Tetrahydrocorticosterone,2TMS,isomer #3 | C[C@]12C[C@H](O)[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CCC2=C(CO[Si](C)(C)C)O[Si](C)(C)C | 3119.8 | Semi standard non polar | 33892256 | Tetrahydrocorticosterone,2TMS,isomer #4 | C[C@]12C[C@H](O)[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C | 3101.8 | Semi standard non polar | 33892256 | Tetrahydrocorticosterone,2TMS,isomer #5 | C[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CC[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO | 3004.3 | Semi standard non polar | 33892256 | Tetrahydrocorticosterone,2TMS,isomer #6 | C[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CCC2=C(CO)O[Si](C)(C)C | 3018.2 | Semi standard non polar | 33892256 | Tetrahydrocorticosterone,2TMS,isomer #7 | C[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=CO)O[Si](C)(C)C | 2983.2 | Semi standard non polar | 33892256 | Tetrahydrocorticosterone,2TMS,isomer #8 | C[C@]12C[C@H](O)[C@H]3[C@@H](CC[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]34C)[C@@H]1CCC2=C(CO)O[Si](C)(C)C | 3106.9 | Semi standard non polar | 33892256 | Tetrahydrocorticosterone,2TMS,isomer #9 | C[C@]12C[C@H](O)[C@H]3[C@@H](CC[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]34C)[C@@H]1CC[C@@H]2C(=CO)O[Si](C)(C)C | 3045.2 | Semi standard non polar | 33892256 | Tetrahydrocorticosterone,3TMS,isomer #1 | C[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CC[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO[Si](C)(C)C | 3001.9 | Semi standard non polar | 33892256 | Tetrahydrocorticosterone,3TMS,isomer #2 | C[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CCC2=C(CO[Si](C)(C)C)O[Si](C)(C)C | 3017.5 | Semi standard non polar | 33892256 | Tetrahydrocorticosterone,3TMS,isomer #3 | C[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C | 3034.4 | Semi standard non polar | 33892256 | Tetrahydrocorticosterone,3TMS,isomer #4 | C[C@]12C[C@H](O)[C@H]3[C@@H](CC[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]34C)[C@@H]1CCC2=C(CO[Si](C)(C)C)O[Si](C)(C)C | 3103.1 | Semi standard non polar | 33892256 | Tetrahydrocorticosterone,3TMS,isomer #5 | C[C@]12C[C@H](O)[C@H]3[C@@H](CC[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]34C)[C@@H]1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C | 3098.0 | Semi standard non polar | 33892256 | Tetrahydrocorticosterone,3TMS,isomer #6 | C[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CC[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]34C)[C@@H]1CCC2=C(CO)O[Si](C)(C)C | 3000.3 | Semi standard non polar | 33892256 | Tetrahydrocorticosterone,3TMS,isomer #7 | C[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CC[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]34C)[C@@H]1CC[C@@H]2C(=CO)O[Si](C)(C)C | 2965.8 | Semi standard non polar | 33892256 | Tetrahydrocorticosterone,4TMS,isomer #1 | C[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CC[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]34C)[C@@H]1CCC2=C(CO[Si](C)(C)C)O[Si](C)(C)C | 3014.0 | Semi standard non polar | 33892256 | Tetrahydrocorticosterone,4TMS,isomer #1 | C[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CC[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]34C)[C@@H]1CCC2=C(CO[Si](C)(C)C)O[Si](C)(C)C | 3183.9 | Standard non polar | 33892256 | Tetrahydrocorticosterone,4TMS,isomer #1 | C[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CC[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]34C)[C@@H]1CCC2=C(CO[Si](C)(C)C)O[Si](C)(C)C | 3346.4 | Standard polar | 33892256 | Tetrahydrocorticosterone,4TMS,isomer #2 | C[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CC[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]34C)[C@@H]1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C | 3057.7 | Semi standard non polar | 33892256 | Tetrahydrocorticosterone,4TMS,isomer #2 | C[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CC[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]34C)[C@@H]1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C | 3083.5 | Standard non polar | 33892256 | Tetrahydrocorticosterone,4TMS,isomer #2 | C[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CC[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]34C)[C@@H]1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C | 3401.1 | Standard polar | 33892256 | Tetrahydrocorticosterone,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C | 3416.3 | Semi standard non polar | 33892256 | Tetrahydrocorticosterone,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)O[C@H]1C[C@]2(C)[C@@H](C(=O)CO)CC[C@H]2[C@@H]2CC[C@@H]3C[C@H](O)CC[C@]3(C)[C@@H]12 | 3315.1 | Semi standard non polar | 33892256 | Tetrahydrocorticosterone,1TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)O[C@@H]1CC[C@]2(C)[C@H]3[C@@H](O)C[C@]4(C)[C@@H](C(=O)CO)CC[C@H]4[C@@H]3CC[C@@H]2C1 | 3378.7 | Semi standard non polar | 33892256 | Tetrahydrocorticosterone,1TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC(CO)=C1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C | 3382.5 | Semi standard non polar | 33892256 | Tetrahydrocorticosterone,1TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC(=CO)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C | 3319.3 | Semi standard non polar | 33892256 | Tetrahydrocorticosterone,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C | 3620.9 | Semi standard non polar | 33892256 | Tetrahydrocorticosterone,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]12C | 3520.1 | Semi standard non polar | 33892256 | Tetrahydrocorticosterone,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C | 3652.6 | Semi standard non polar | 33892256 | Tetrahydrocorticosterone,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C | 3565.2 | Semi standard non polar | 33892256 | Tetrahydrocorticosterone,2TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)O[C@H]1C[C@]2(C)[C@@H](C(=O)CO)CC[C@H]2[C@@H]2CC[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]3(C)[C@@H]12 | 3460.8 | Semi standard non polar | 33892256 | Tetrahydrocorticosterone,2TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)OC(CO)=C1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]12C | 3501.1 | Semi standard non polar | 33892256 | Tetrahydrocorticosterone,2TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)OC(=CO)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]12C | 3423.5 | Semi standard non polar | 33892256 | Tetrahydrocorticosterone,2TBDMS,isomer #8 | CC(C)(C)[Si](C)(C)OC(CO)=C1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C | 3620.1 | Semi standard non polar | 33892256 | Tetrahydrocorticosterone,2TBDMS,isomer #9 | CC(C)(C)[Si](C)(C)OC(=CO)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C | 3524.3 | Semi standard non polar | 33892256 | Tetrahydrocorticosterone,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]12C | 3686.1 | Semi standard non polar | 33892256 | Tetrahydrocorticosterone,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C | 3847.6 | Semi standard non polar | 33892256 | Tetrahydrocorticosterone,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C | 3771.0 | Semi standard non polar | 33892256 | Tetrahydrocorticosterone,3TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]12C | 3690.8 | Semi standard non polar | 33892256 | Tetrahydrocorticosterone,3TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]12C | 3678.8 | Semi standard non polar | 33892256 | Tetrahydrocorticosterone,3TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)OC(CO)=C1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]12C | 3663.3 | Semi standard non polar | 33892256 | Tetrahydrocorticosterone,3TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)OC(=CO)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]12C | 3618.6 | Semi standard non polar | 33892256 | Tetrahydrocorticosterone,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]12C | 3851.8 | Semi standard non polar | 33892256 | Tetrahydrocorticosterone,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]12C | 3984.0 | Standard non polar | 33892256 | Tetrahydrocorticosterone,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]12C | 3664.3 | Standard polar | 33892256 | Tetrahydrocorticosterone,4TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]12C | 3882.1 | Semi standard non polar | 33892256 | Tetrahydrocorticosterone,4TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]12C | 3858.9 | Standard non polar | 33892256 | Tetrahydrocorticosterone,4TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]12C | 3680.6 | Standard polar | 33892256 |
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Spectra |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - Tetrahydrocorticosterone GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Tetrahydrocorticosterone GC-MS (TMS_1_1) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Tetrahydrocorticosterone GC-MS (TMS_1_2) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Tetrahydrocorticosterone GC-MS (TMS_1_3) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Tetrahydrocorticosterone GC-MS (TMS_1_4) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Tetrahydrocorticosterone GC-MS (TMS_1_5) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Tetrahydrocorticosterone GC-MS (TMS_2_1) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Tetrahydrocorticosterone GC-MS (TMS_2_2) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Tetrahydrocorticosterone GC-MS (TMS_2_3) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Tetrahydrocorticosterone GC-MS (TMS_2_4) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Tetrahydrocorticosterone GC-MS (TMS_2_5) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Tetrahydrocorticosterone GC-MS (TMS_2_6) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Tetrahydrocorticosterone GC-MS (TMS_2_7) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Tetrahydrocorticosterone GC-MS (TMS_2_8) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Tetrahydrocorticosterone GC-MS (TMS_2_9) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Tetrahydrocorticosterone GC-MS (TMS_3_1) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Tetrahydrocorticosterone GC-MS (TMS_3_2) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Tetrahydrocorticosterone GC-MS (TMS_3_3) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Tetrahydrocorticosterone GC-MS (TMS_3_4) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Tetrahydrocorticosterone GC-MS (TMS_3_5) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Tetrahydrocorticosterone GC-MS (TMS_3_6) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Tetrahydrocorticosterone GC-MS (TMS_3_7) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Tetrahydrocorticosterone GC-MS (TBDMS_1_1) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Tetrahydrocorticosterone GC-MS (TBDMS_1_2) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Tetrahydrocorticosterone GC-MS (TBDMS_1_3) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Experimental LC-MS/MS | LC-MS/MS Spectrum - Tetrahydrocorticosterone Quattro_QQQ 10V, Positive-QTOF (Annotated) | splash10-0002-0009000000-cec330110dfc2d03e126 | 2012-07-24 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Tetrahydrocorticosterone Quattro_QQQ 25V, Positive-QTOF (Annotated) | splash10-0592-9077000000-7adca5a0af60b9fda618 | 2012-07-24 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Tetrahydrocorticosterone Quattro_QQQ 40V, Positive-QTOF (Annotated) | splash10-0udi-3490000000-84176a53f54507ead0c6 | 2012-07-24 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Tetrahydrocorticosterone EI-B (HITACHI M-80) , Positive-QTOF | splash10-01b9-1947000000-cbb72686416e9b705c28 | 2012-08-31 | HMDB team, MONA | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Tetrahydrocorticosterone 10V, Positive-QTOF | splash10-0fsi-0019000000-3e07505796a0d0ccf759 | 2019-02-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Tetrahydrocorticosterone 20V, Positive-QTOF | splash10-0159-0029000000-a684771622b2b677b05e | 2019-02-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Tetrahydrocorticosterone 40V, Positive-QTOF | splash10-0fmi-3193000000-258bcce49fc0fdfa367c | 2019-02-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Tetrahydrocorticosterone 10V, Negative-QTOF | splash10-0002-0009000000-604ddf044ec2555026ca | 2019-02-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Tetrahydrocorticosterone 20V, Negative-QTOF | splash10-05o1-1029000000-5f7d67b696b8216549c8 | 2019-02-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Tetrahydrocorticosterone 40V, Negative-QTOF | splash10-0c2c-4094000000-6414e1ce977710e5f136 | 2019-02-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Tetrahydrocorticosterone 10V, Positive-QTOF | splash10-0ue9-0009000000-0aa7b6bcf5326ebfd06d | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Tetrahydrocorticosterone 20V, Positive-QTOF | splash10-0g59-1946000000-70f8a3a83793bdccde86 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Tetrahydrocorticosterone 40V, Positive-QTOF | splash10-014l-9360000000-b75838c5554768281848 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Tetrahydrocorticosterone 10V, Negative-QTOF | splash10-0002-0009000000-ce9bde525139d21c8d92 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Tetrahydrocorticosterone 20V, Negative-QTOF | splash10-00kb-0009000000-3c63ef8c1c108dd51eec | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Tetrahydrocorticosterone 40V, Negative-QTOF | splash10-0hg2-1049000000-d6e8731409c9d6502763 | 2021-09-22 | Wishart Lab | View Spectrum |
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Biological Properties |
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Cellular Locations | |
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Biospecimen Locations | |
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Tissue Locations | Not Available |
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Pathways | |
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Normal Concentrations |
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Blood | Expected but not Quantified | Not Quantified | Not Available | Not Available | Normal | | details | Urine | Detected and Quantified | 0.0190-0.0571 umol/mmol creatinine | Adult (>18 years old) | Not Specified | Normal | | details | Urine | Detected and Quantified | 0.0011 +/- 0.000014 umol/mmol creatinine | Adult (>18 years old) | Female | Normal | | details |
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Abnormal Concentrations |
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Urine | Detected and Quantified | 0.042 +/- 0.017 umol/mmol creatinine | Adult (>18 years old) | Female | Pregnant with an anencephalic foetus | | details | Urine | Detected and Quantified | 0.12 +/- 0.061 umol/mmol creatinine | Adult (>18 years old) | Female | Pregnant with a normal foetus | | details | Urine | Detected and Quantified | 0.00719 umol/mmol creatinine | Infant (0-1 year old) | Female | Lipoid Adrenal Hyperplasia | | details | Urine | Detected and Quantified | 0.00063 +/- 0.00054 umol/mmol creatinine | Adult (>18 years old) | Female | Stress urinary incontinence | | details |
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Associated Disorders and Diseases |
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Disease References | Lipoid Congenital Adrenal Hyperplasia |
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- Hauffa BP, Miller WL, Grumbach MM, Conte FA, Kaplan SL: Congenital adrenal hyperplasia due to deficient cholesterol side-chain cleavage activity (20, 22-desmolase) in a patient treated for 18 years. Clin Endocrinol (Oxf). 1985 Nov;23(5):481-93. [PubMed:3841304 ]
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Associated OMIM IDs | - 201710 (Lipoid Congenital Adrenal Hyperplasia)
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External Links |
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DrugBank ID | Not Available |
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Phenol Explorer Compound ID | Not Available |
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FooDB ID | Not Available |
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KNApSAcK ID | Not Available |
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Chemspider ID | 58996 |
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KEGG Compound ID | C05476 |
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BioCyc ID | Not Available |
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BiGG ID | Not Available |
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Wikipedia Link | Tetrahydrocorticosterone |
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METLIN ID | Not Available |
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PubChem Compound | Not Available |
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PDB ID | Not Available |
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ChEBI ID | Not Available |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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MarkerDB ID | Not Available |
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Good Scents ID | Not Available |
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References |
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Synthesis Reference | Higashi, Tatsuya; Yokoi, Hiroyuki; Maekubo, Hitoe; Honda, Ayako; Shimada, Kazutake. Studies on neurosteroids. XXIII. Analysis of tetrahydrocorticosterone isomers in the brain of rats exposed to immobilization using LC-MS. Steroids (2007), 72(13), 865-874. |
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Material Safety Data Sheet (MSDS) | Not Available |
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General References | - Lee SH, Nam SY, Chung BC: Altered profile of endogenous steroids in the urine of patients with prolactinoma. Clin Biochem. 1998 Oct;31(7):529-35. [PubMed:9812172 ]
- Cawood ML, Heys RF, Oakey RE: Corticosteroid production by the human foetus: evidence from analysis of urine from women pregnant with a normal or an anencephalic foetus. J Endocrinol. 1976 Jul;70(1):117-26. [PubMed:932595 ]
- Fuster D, Escher G, Vogt B, Ackermann D, Dick B, Frey BM, Frey FJ: Furosemide inhibits 11beta-hydroxysteroid dehydrogenase type 2. Endocrinology. 1998 Sep;139(9):3849-54. [PubMed:9724039 ]
- Akgun S, Ertel NH, Imperato-McGinley J, Sayli BS, Shackleton C: Familial male pseudohermaphroditism due to 5-alpha-reductase deficiency in a Turkish village. Am J Med. 1986 Aug;81(2):267-74. [PubMed:3740084 ]
- Kodama M, Kodama T, Yoshida M, Totania R, Aoki K: Hormonal status of breast cancer. II. Abnormal urinary steroid excretion. J Natl Cancer Inst. 1975 Jun;54(6):1275-82. [PubMed:1133844 ]
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