| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:46:48 UTC |
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| Update Date | 2020-05-05 18:40:13 UTC |
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| BMDB ID | BMDB0001496 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 7a-Hydroxycholesterol |
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| Description | 7a-Hydroxycholesterol is an extremely weak basic (essentially neutral) compound (based on its pKa). Within cattle, 7a-hydroxycholesterol participates in a number of enzymatic reactions. In particular, 7a-hydroxycholesterol can be converted into 7a-hydroxy-cholestene-3-one through the action of the enzyme 3 beta-hydroxysteroid dehydrogenase type 7. In addition, 7a-hydroxycholesterol can be biosynthesized from cholesterol through its interaction with the enzyme cholesterol 7-alpha-monooxygenase. In cattle, 7a-hydroxycholesterol is involved in the metabolic pathway called bile acid biosynthesis pathway. |
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| Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C27H46O2 |
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| Average Molecular Weight | 402.663 |
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| Monoisotopic Molecular Weight | 402.349780721 |
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| IUPAC Name | (1S,2R,5S,9S,10R,11R,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-ene-5,9-diol |
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| Traditional Name | (1S,2R,5S,9S,10R,11R,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-ene-5,9-diol |
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| CAS Registry Number | Not Available |
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| SMILES | [H][C@@](C)(CCCC(C)C)[C@@]1([H])CC[C@]2([H])[C@@]3([H])[C@]([H])(O)C=C4C[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C |
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| InChI Identifier | InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20+,21-,22-,23+,24-,25-,26+,27-/m1/s1 |
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| InChI Key | OYXZMSRRJOYLLO-WIFYNPISSA-N |
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| Chemical Taxonomy |
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| Classification | Not classified |
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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 | - Cell membrane
- Cytoplasm
- Endoplasmic reticulum
- 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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