| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 23:20:16 UTC |
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| Update Date | 2020-05-11 20:41:25 UTC |
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| BMDB ID | BMDB0006119 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 7b-Hydroxycholesterol |
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| Description | 7beta-Hydroxycholesterol belongs to the class of organic compounds known as cholesterols and derivatives. Cholesterols and derivatives are compounds containing a 3-hydroxylated cholestane core. Thus, 7beta-hydroxycholesterol is considered to be a sterol. Based on a literature review a small amount of articles have been published on 7beta-Hydroxycholesterol. |
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| Structure | |
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| Synonyms | | Value | Source |
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| (3beta,7beta)-Cholest-5-ene-3,7-diol | ChEBI | | 7-HYDROXYCHOLESTEROL | ChEBI | | (3b,7b)-Cholest-5-ene-3,7-diol | Generator | | (3Β,7β)-cholest-5-ene-3,7-diol | Generator | | 7b-Hydroxycholesterol | Generator | | 7Β-hydroxycholesterol | Generator | | 7 beta-Hydroxycholesterol | MeSH | | Cholest-5-en-3beta,7beta-diol | MeSH | | 5-Cholestene-3beta,7beta-diol | HMDB | | 7beta-Hydroxycholesterol | HMDB | | Cholest-5-ene-3beta,7beta-diol | HMDB | | 7beta-Hydroxycholest-5-en-3beta-ol | HMDB | | 7β-Hydroxycholest-5-en-3β-ol | HMDB | | Cholest-5-ene-3β,7β-diol | HMDB | | delta5-Cholestene-3beta,7beta-diol | HMDB | | Δ5-Cholestene-3β,7β-diol | HMDB |
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| Chemical Formula | C27H46O2 |
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| Average Molecular Weight | 402.6529 |
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| Monoisotopic Molecular Weight | 402.349780716 |
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| IUPAC Name | (1S,2R,5S,9R,10S,11S,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,9R,10S,11S,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 | 566-27-8 |
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| SMILES | [H][C@@]1(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)[C@H](C)CCCC(C)C |
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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-KGZHIOMZSA-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
- Cholesterol-skeleton
- 3-hydroxy-delta-5-steroid
- 3-hydroxysteroid
- Hydroxysteroid
- 3-beta-hydroxy-delta-5-steroid
- 3-beta-hydroxysteroid
- 7-alpha-hydroxysteroid
- 7-hydroxysteroid
- Delta-5-steroid
- Cyclic alcohol
- Secondary alcohol
- Alcohol
- Organooxygen compound
- Organic oxygen compound
- Hydrocarbon derivative
- 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 | Expected 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
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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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