| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-10-03 18:38:58 UTC |
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| Update Date | 2020-05-21 16:28:49 UTC |
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| BMDB ID | BMDB0012459 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 7 alpha,26-Dihydroxy-4-cholesten-3-one |
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| Description | 7 alpha,26-Dihydroxy-4-cholesten-3-one, also known as 4-cholesten-7alpha,26-diol-3-one or 7,26-dhxyclso, belongs to the class of organic compounds known as dihydroxy bile acids, alcohols and derivatives. Dihydroxy bile acids, alcohols and derivatives are compounds containing or derived from a bile acid or alcohol, and which bears exactly two carboxylic acid groups. 7 alpha,26-Dihydroxy-4-cholesten-3-one is an extremely weak basic (essentially neutral) compound (based on its pKa). |
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| Structure | |
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| Synonyms | | Value | Source |
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| 7 a,26-Dihydroxy-4-cholesten-3-one | Generator | | 7 Α,26-dihydroxy-4-cholesten-3-one | Generator | | (7alpha)-7,26-Dihydroxy-cholest-4-en-3-one | HMDB | | 4-Cholesten-7alpha,26-diol-3-one | HMDB | | 7,26-Dhxyclso | HMDB | | 7alpha,26-Dihydroxy-4-cholesten-3-one | HMDB | | 7alpha,26-Dihydroxycholest-4-en-3-one | HMDB |
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| Chemical Formula | C27H44O3 |
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| Average Molecular Weight | 416.6365 |
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| Monoisotopic Molecular Weight | 416.329045274 |
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| IUPAC Name | Not Available |
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| Traditional Name | Not Available |
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| CAS Registry Number | 4675-38-1 |
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| SMILES | Not Available |
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| InChI Identifier | InChI=1S/C27H44O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h14,17-18,21-25,28,30H,5-13,15-16H2,1-4H3/t17?,18-,21?,22?,23?,24-,25?,26+,27-/m1/s1 |
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| InChI Key | KVJVJJWIEXCECB-JZGXDVPNSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as dihydroxy bile acids, alcohols and derivatives. Dihydroxy bile acids, alcohols and derivatives are compounds containing or derived from a bile acid or alcohol, and which bears exactly two carboxylic acid groups. |
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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 | Bile acids, alcohols and derivatives |
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| Direct Parent | Dihydroxy bile acids, alcohols and derivatives |
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| Alternative Parents | |
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| Substituents | - 26-hydroxysteroid
- Dihydroxy bile acid, alcohol, or derivatives
- 3-oxo-delta-4-steroid
- 3-oxosteroid
- 7-hydroxysteroid
- Oxosteroid
- Hydroxysteroid
- Delta-4-steroid
- Fatty alcohol
- Cyclohexenone
- Fatty acyl
- Cyclic alcohol
- Secondary alcohol
- Cyclic ketone
- Ketone
- Organooxygen compound
- Primary alcohol
- Hydrocarbon derivative
- Organic oxygen compound
- Carbonyl group
- Alcohol
- Organic oxide
- 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 | 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 | |
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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 | Not Available |
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| Spectra |
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| Spectra | |
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