| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 23:21:10 UTC |
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| Update Date | 2020-04-22 15:17:10 UTC |
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| BMDB ID | BMDB0006280 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 7-a,25-Dihydroxycholesterol |
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| Description | 7-a,25-Dihydroxycholesterol, also known as 3b,7a,25-trihydroxycholest-5-ene or 5-cholesten-3b,7a,25-triol, belongs to the class of organic compounds known as cholesterols and derivatives. Cholesterols and derivatives are compounds containing a 3-hydroxylated cholestane core. Thus, 7-a,25-dihydroxycholesterol is considered to be a bile acid. Based on a literature review a significant number of articles have been published on 7-a,25-Dihydroxycholesterol. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 3beta,7alpha,25-Trihydroxycholest-5-ene | ChEBI | | 5-Cholesten-3beta,7alpha,25-triol | ChEBI | | Cholest-5-ene-3beta,7alpha,25-triol | ChEBI | | 7alpha,25-Dihydroxycholesterol | Kegg | | 3b,7a,25-Trihydroxycholest-5-ene | Generator | | 3Β,7α,25-trihydroxycholest-5-ene | Generator | | 5-Cholesten-3b,7a,25-triol | Generator | | 5-Cholesten-3β,7α,25-triol | Generator | | Cholest-5-ene-3b,7a,25-triol | Generator | | Cholest-5-ene-3β,7α,25-triol | Generator | | 7a,25-Dihydroxycholesterol | Generator | | 7Α,25-dihydroxycholesterol | Generator | | 7-alpha,25-Dihydroxycholesterol | HMDB | | Cholest-5-ene-3-b,7-a,25-triol | HMDB | | Cholest-5-ene-3-beta,7-alpha,25-triol | HMDB |
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| Chemical Formula | C27H46O3 |
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| Average Molecular Weight | 418.6523 |
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| Monoisotopic Molecular Weight | 418.344695338 |
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| IUPAC Name | (1S,2R,5S,9S,10S,11S,14R,15R)-14-[(2R)-6-hydroxy-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-ene-5,9-diol |
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| Traditional Name | 7α,25-dihydroxycholesterol |
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| CAS Registry Number | 64907-22-8 |
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| SMILES | [H][C@@]12CC[C@H]([C@H](C)CCCC(C)(C)O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)C=C2C[C@@H](O)CC[C@]12C |
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| InChI Identifier | InChI=1S/C27H46O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h16-17,19-24,28-30H,6-15H2,1-5H3/t17-,19+,20-,21+,22+,23-,24+,26+,27-/m1/s1 |
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| InChI Key | BQMSKLCEWBSPPY-IKVTXIKFSA-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
- 25-hydroxysteroid
- 3-hydroxy-delta-5-steroid
- 3-hydroxysteroid
- 7-hydroxysteroid
- Hydroxysteroid
- 3-beta-hydroxy-delta-5-steroid
- 3-beta-hydroxysteroid
- Delta-5-steroid
- Cyclic alcohol
- Tertiary 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
- 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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