| Record Information |
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| Version | 1.0 |
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| Creation Date | 2020-05-06 19:43:32 UTC |
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| Update Date | 2020-05-07 14:45:18 UTC |
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| BMDB ID | BMDB0109718 |
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| Secondary Accession Numbers | None |
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| Metabolite Identification |
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| Common Name | Cholesterol-2,2,3,4,4,6-d6 |
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| Description | (1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-(6-methylheptan-2-yl)(4,4,5,6,6,8-²H₆)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-ol belongs to the class of organic compounds known as cholesterols and derivatives. Cholesterols and derivatives are compounds containing a 3-hydroxylated cholestane core. Based on a literature review very few articles have been published on (1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-(6-methylheptan-2-yl)(4,4,5,6,6,8-²H₆)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-ol. |
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| Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C27H46O |
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| Average Molecular Weight | 392.701 |
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| Monoisotopic Molecular Weight | 392.392526577 |
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| IUPAC Name | (1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-(6-methylheptan-2-yl)(4,4,5,6,6,8-2H6)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-ol |
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| Traditional Name | (1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-(6-methylheptan-2-yl)(4,4,5,6,6,8-2H6)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-ol |
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| CAS Registry Number | Not Available |
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| SMILES | [2H]C1=C2C([2H])([2H])[C@@]([2H])(O)C([2H])([2H])C[C@]2(C)[C@H]2CC[C@]3(C)[C@H](CC[C@H]3[C@@H]2C1)C(C)CCCC(C)C |
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| InChI Identifier | InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19?,21-,22-,23+,24-,25-,26-,27+/m0/s1/i9D,13D2,17D2,21D |
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| InChI Key | HVYWMOMLDIMFJA-BWVJFHATSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as cholesterols and derivatives. Cholesterols and derivatives are compounds containing a 3-hydroxylated cholestane core. |
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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 | Cholestane steroids |
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| Direct Parent | Cholesterols and derivatives |
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| Alternative Parents | |
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| Substituents | - Cholesterol-skeleton
- Cholesterol
- 3-beta-hydroxysteroid
- 3-beta-hydroxy-delta-5-steroid
- Hydroxysteroid
- 3-hydroxysteroid
- 3-hydroxy-delta-5-steroid
- Delta-5-steroid
- Cyclic alcohol
- Secondary alcohol
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Alcohol
- 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 | Detected but not Quantified |
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| Origin | Not Available |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | Not Available |
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| Physical Properties |
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| State | Not Available |
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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 | Not Available |
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