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 02:49:02 UTC |
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HMDB ID | HMDB0000449 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | 5a-Tetrahydrocorticosterone |
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Description | 5a-Tetrahydrocorticosterone, also known as allothb, 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, 5a-tetrahydrocorticosterone is considered to be a steroid. Based on a literature review a small amount of articles have been published on 5a-Tetrahydrocorticosterone. |
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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-/m0/s1 |
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Synonyms | Value | Source |
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3a,11b,21-Trihydroxy-5a-pregnan-20-one | HMDB | 3a,5a-Tetrahydrocorticosterone | HMDB | 5a-Pregnane-3a,11b,21-triol-20-one | HMDB | Allotetrahydrocorticosterone | HMDB | 5Α-tetrahydrocorticosterone | HMDB | Tetrahydrocorticosterone | HMDB | Tetrahydrocorticosterone, (3alpha,5beta,11alpha)-isomer | HMDB | Tetrahydrocorticosterone, (3beta,5alpha,11beta)-isomer | HMDB | Tetrahydrocorticosterone, (3beta,5beta)-isomer | HMDB | Tetrahydrocorticosterone, (5alpha)-isomer | HMDB | 3 beta,11 beta,21-Trihydroxy-5 alpha-pregnan-20-one | HMDB | AlloTHB | HMDB | Allopregnane-3 beta,11 beta,21-triol-20-one | HMDB | Tetrahydrocorticosterone, (3alpha,5alpha)-isomer | HMDB | 5a-Tetrahydrocorticosterone | Generator |
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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,7S,10S,11S,14S,15S,17S)-5,17-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]-2-hydroxyethan-1-one |
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Traditional Name | allotetrahydrocorticosterone |
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CAS Registry Number | 600-63-5 |
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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-/m0/s1 |
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InChI Key | RHQQHZQUAMFINJ-NZTKVECHSA-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 | - C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives (LMST02030142 )
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Ontology |
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Physiological effect | |
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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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5a-Tetrahydrocorticosterone,1TMS,isomer #1 | C[C@]12C[C@H](O)[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO[Si](C)(C)C | 3123.7 | Semi standard non polar | 33892256 | 5a-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@@]43C)[C@@H]1CC[C@@H]2C(=O)CO | 3062.5 | Semi standard non polar | 33892256 | 5a-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@@]43C)[C@@H]1CC[C@@H]2C(=O)CO | 3126.9 | Semi standard non polar | 33892256 | 5a-Tetrahydrocorticosterone,1TMS,isomer #4 | C[C@]12C[C@H](O)[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CCC2=C(CO)O[Si](C)(C)C | 3094.7 | Semi standard non polar | 33892256 | 5a-Tetrahydrocorticosterone,1TMS,isomer #5 | C[C@]12C[C@H](O)[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=CO)O[Si](C)(C)C | 3070.6 | Semi standard non polar | 33892256 | 5a-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@@]43C)[C@@H]1CC[C@@H]2C(=O)CO[Si](C)(C)C | 3021.3 | Semi standard non polar | 33892256 | 5a-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@@]43C)[C@@H]1CC[C@@H]2C(=O)CO[Si](C)(C)C | 3103.3 | Semi standard non polar | 33892256 | 5a-Tetrahydrocorticosterone,2TMS,isomer #3 | C[C@]12C[C@H](O)[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CCC2=C(CO[Si](C)(C)C)O[Si](C)(C)C | 3119.8 | Semi standard non polar | 33892256 | 5a-Tetrahydrocorticosterone,2TMS,isomer #4 | C[C@]12C[C@H](O)[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C | 3101.8 | Semi standard non polar | 33892256 | 5a-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@@]43C)[C@@H]1CC[C@@H]2C(=O)CO | 3004.3 | Semi standard non polar | 33892256 | 5a-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@@]43C)[C@@H]1CCC2=C(CO)O[Si](C)(C)C | 3018.2 | Semi standard non polar | 33892256 | 5a-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@@]43C)[C@@H]1CC[C@@H]2C(=CO)O[Si](C)(C)C | 2983.2 | Semi standard non polar | 33892256 | 5a-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@@]43C)[C@@H]1CCC2=C(CO)O[Si](C)(C)C | 3106.9 | Semi standard non polar | 33892256 | 5a-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@@]43C)[C@@H]1CC[C@@H]2C(=CO)O[Si](C)(C)C | 3045.2 | Semi standard non polar | 33892256 | 5a-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@@]43C)[C@@H]1CC[C@@H]2C(=O)CO[Si](C)(C)C | 3001.9 | Semi standard non polar | 33892256 | 5a-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@@]43C)[C@@H]1CCC2=C(CO[Si](C)(C)C)O[Si](C)(C)C | 3017.5 | Semi standard non polar | 33892256 | 5a-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@@]43C)[C@@H]1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C | 3034.4 | Semi standard non polar | 33892256 | 5a-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@@]43C)[C@@H]1CCC2=C(CO[Si](C)(C)C)O[Si](C)(C)C | 3103.1 | Semi standard non polar | 33892256 | 5a-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@@]43C)[C@@H]1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C | 3098.0 | Semi standard non polar | 33892256 | 5a-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@@]43C)[C@@H]1CCC2=C(CO)O[Si](C)(C)C | 3000.3 | Semi standard non polar | 33892256 | 5a-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@@]43C)[C@@H]1CC[C@@H]2C(=CO)O[Si](C)(C)C | 2965.8 | Semi standard non polar | 33892256 | 5a-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@@]43C)[C@@H]1CCC2=C(CO[Si](C)(C)C)O[Si](C)(C)C | 3014.0 | Semi standard non polar | 33892256 | 5a-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@@]43C)[C@@H]1CCC2=C(CO[Si](C)(C)C)O[Si](C)(C)C | 3183.9 | Standard non polar | 33892256 | 5a-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@@]43C)[C@@H]1CCC2=C(CO[Si](C)(C)C)O[Si](C)(C)C | 3346.4 | Standard polar | 33892256 | 5a-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@@]43C)[C@@H]1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C | 3057.7 | Semi standard non polar | 33892256 | 5a-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@@]43C)[C@@H]1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C | 3083.5 | Standard non polar | 33892256 | 5a-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@@]43C)[C@@H]1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C | 3401.1 | Standard polar | 33892256 | 5a-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 | 5a-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 | 5a-Tetrahydrocorticosterone,1TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](C(=O)CO)[C@@]4(C)C[C@H](O)[C@@H]32)C1 | 3378.7 | Semi standard non polar | 33892256 | 5a-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 | 5a-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 | 5a-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 | 5a-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 | 5a-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 | 5a-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 | 5a-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 | 5a-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 | 5a-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 | 5a-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 | 5a-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 | 5a-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 | 5a-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 | 5a-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 | 5a-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 | 5a-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 | 5a-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 | 5a-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 | 5a-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 | 5a-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 | 5a-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 | 5a-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 | 5a-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 | 5a-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 - 5a-Tetrahydrocorticosterone GC-MS (Non-derivatized) - 70eV, Positive | splash10-029l-1869000000-147d3437cb49ea8367e5 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 5a-Tetrahydrocorticosterone GC-MS (3 TMS) - 70eV, Positive | splash10-0udi-1320980000-89fa02a6f1e4d7e7ad2c | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 5a-Tetrahydrocorticosterone GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 5a-Tetrahydrocorticosterone GC-MS (TMS_1_1) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 5a-Tetrahydrocorticosterone GC-MS (TMS_1_2) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 5a-Tetrahydrocorticosterone GC-MS (TMS_1_3) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 5a-Tetrahydrocorticosterone GC-MS (TMS_1_4) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 5a-Tetrahydrocorticosterone GC-MS (TMS_1_5) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 5a-Tetrahydrocorticosterone GC-MS (TMS_2_1) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 5a-Tetrahydrocorticosterone GC-MS (TMS_2_2) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 5a-Tetrahydrocorticosterone GC-MS (TMS_2_3) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 5a-Tetrahydrocorticosterone GC-MS (TMS_2_4) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 5a-Tetrahydrocorticosterone GC-MS (TMS_2_5) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 5a-Tetrahydrocorticosterone GC-MS (TMS_2_6) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 5a-Tetrahydrocorticosterone GC-MS (TMS_2_7) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 5a-Tetrahydrocorticosterone GC-MS (TMS_2_8) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 5a-Tetrahydrocorticosterone GC-MS (TMS_2_9) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 5a-Tetrahydrocorticosterone GC-MS (TMS_3_2) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 5a-Tetrahydrocorticosterone GC-MS (TMS_3_3) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 5a-Tetrahydrocorticosterone GC-MS (TMS_3_4) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 5a-Tetrahydrocorticosterone GC-MS (TMS_3_5) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 5a-Tetrahydrocorticosterone GC-MS (TMS_3_6) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 5a-Tetrahydrocorticosterone GC-MS (TMS_3_7) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 5a-Tetrahydrocorticosterone GC-MS (TBDMS_1_1) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 5a-Tetrahydrocorticosterone GC-MS (TBDMS_1_2) - 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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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5a-Tetrahydrocorticosterone 10V, Positive-QTOF | splash10-0fsi-0019000000-2ce8a1d8a808330e18b4 | 2016-06-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5a-Tetrahydrocorticosterone 20V, Positive-QTOF | splash10-0159-0139000000-a4cda6b8bcdea2831bcf | 2016-06-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5a-Tetrahydrocorticosterone 40V, Positive-QTOF | splash10-0fmi-3193000000-db014e7d4698b3a36e45 | 2016-06-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5a-Tetrahydrocorticosterone 10V, Negative-QTOF | splash10-0002-0009000000-3e16a41839d8563e1621 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5a-Tetrahydrocorticosterone 20V, Negative-QTOF | splash10-00ls-1029000000-7c2a3540a4b04ae75504 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5a-Tetrahydrocorticosterone 40V, Negative-QTOF | splash10-0adl-4094000000-a890b4c7a924b18538f8 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5a-Tetrahydrocorticosterone 10V, Negative-QTOF | splash10-0002-0009000000-ce9bde525139d21c8d92 | 2021-09-21 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5a-Tetrahydrocorticosterone 20V, Negative-QTOF | splash10-00kb-0009000000-3c63ef8c1c108dd51eec | 2021-09-21 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5a-Tetrahydrocorticosterone 40V, Negative-QTOF | splash10-0hg2-1049000000-d6e8731409c9d6502763 | 2021-09-21 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5a-Tetrahydrocorticosterone 10V, Positive-QTOF | splash10-0ue9-0009000000-0aa7b6bcf5326ebfd06d | 2021-09-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5a-Tetrahydrocorticosterone 20V, Positive-QTOF | splash10-0g59-1946000000-70f8a3a83793bdccde86 | 2021-09-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5a-Tetrahydrocorticosterone 40V, Positive-QTOF | splash10-014l-9360000000-b75838c5554768281848 | 2021-09-25 | Wishart Lab | View Spectrum |
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Biological Properties |
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Cellular Locations | - Cytoplasm
- Extracellular
- Membrane
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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 | 0.19 +/- 0.13 umol/mmol creatinine | Adult (>18 years old) | Both | Normal | | details | Urine | Detected and Quantified | 0.092 +/- 0.017 umol/mmol creatinine | Adult (>18 years old) | Female | Normal | | details |
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Abnormal Concentrations |
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Urine | Detected and Quantified | 0.028 +/- 0.018 umol/mmol creatinine | Adult (>18 years old) | Both | Thyroid cancer | | details |
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Associated Disorders and Diseases |
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Disease References | Thyroid cancer |
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- Kim KM, Jung BH, Lho DS, Chung WY, Paeng KJ, Chung BC: Alteration of urinary profiles of endogenous steroids and polyunsaturated fatty acids in thyroid cancer. Cancer Lett. 2003 Dec 30;202(2):173-9. [PubMed:14643447 ]
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Associated OMIM IDs | None |
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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 | FDB022053 |
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KNApSAcK ID | Not Available |
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Chemspider ID | 91970 |
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KEGG Compound ID | Not Available |
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BioCyc ID | Not Available |
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BiGG ID | Not Available |
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Wikipedia Link | Not Available |
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METLIN ID | 5438 |
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PubChem Compound | 101790 |
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PDB ID | Not Available |
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ChEBI ID | 89328 |
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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 | Harnik, M. Syntheses of steroid metabolites. III. Steroids (1963), 2(5), 485-98. |
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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 ]
- Soro A, Ingram MC, Tonolo G, Glorioso N, Fraser R: Mildly raised corticosterone excretion rates in patients with essential hypertension. J Hum Hypertens. 1995 Jun;9(6):391-3. [PubMed:7473516 ]
- Friel PN, Alexander T, Wright JV: Suppression of adrenal function by low-dose prednisone: assessment with 24-hour urinary steroid hormone profiles--a review of five cases. Altern Med Rev. 2006 Mar;11(1):40-6. [PubMed:16597193 ]
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