Record Information |
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Version | 1.0 |
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Creation Date | 2016-09-30 23:27:19 UTC |
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Update Date | 2020-05-21 16:28:47 UTC |
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BMDB ID | BMDB0006893 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | 3a,7a-Dihydroxy-5b-cholestane |
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Description | 3a,7a-Dihydroxy-5b-cholestane, also known as dihydroxycoprostane or 5b-cholestane-3a,7a-diol, belongs to the class of organic compounds known as cholesterols and derivatives. Cholesterols and derivatives are compounds containing a 3-hydroxylated cholestane core. Thus, 3a,7a-dihydroxy-5b-cholestane is considered to be a bile acid lipid molecule. 3a,7a-Dihydroxy-5b-cholestane is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. 3a,7a-Dihydroxy-5b-cholestane is a potentially toxic compound. |
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Structure | |
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Synonyms | Value | Source |
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3alpha,7alpha-Dihydroxy-5beta-cholestane | ChEBI | Dihydroxycoprostane | ChEBI | 5beta-Cholestane-3alpha,7alpha-diol | Kegg | 3Α,7α-dihydroxy-5β-cholestane | Generator | 5b-Cholestane-3a,7a-diol | Generator | 5Β-cholestane-3α,7α-diol | Generator | 3,7-Dihydroxy-5-cholestane | HMDB | 3,7-Dihydroxycholestane | HMDB | 5alpha-Cholestane-3beta,7beta-diol | HMDB | Dihydroxycoprostane, (3alpha,5alpha,7alpha)-isomer | HMDB | Dihydroxycoprostane, (3beta,5alpha,7alpha)-isomer | HMDB |
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Chemical Formula | C27H48O2 |
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Average Molecular Weight | 404.6688 |
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Monoisotopic Molecular Weight | 404.36543078 |
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IUPAC Name | Not Available |
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Traditional Name | Not Available |
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CAS Registry Number | 3862-26-8 |
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SMILES | Not Available |
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InChI Identifier | InChI=1S/C27H48O2/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/h17-25,28-29H,6-16H2,1-5H3/t18-,19+,20-,21-,22+,23+,24-,25+,26+,27-/m1/s1 |
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InChI Key | APYVEUGLZHAHDJ-TVRYRFOISA-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 | Not Available |
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Substituents | Not Available |
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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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