Record Information |
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Version | 1.0 |
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Creation Date | 2016-09-30 22:29:15 UTC |
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Update Date | 2020-05-21 16:28:48 UTC |
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BMDB ID | BMDB0000359 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | 3a,7a-Dihydroxycoprostanic acid |
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Description | 3alpha,7alpha-Dihydroxycoprostanic acid, also known as 3alpha,7alpha-dihydroxy-5beta-cholestanate or 3α,7α-dihydroxy-5β-cholestanate, 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. 3alpha,7alpha-Dihydroxycoprostanic acid is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. |
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Structure | |
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Synonyms | Value | Source |
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3alpha,7alpha-Dihydroxy-5beta-cholestanate | ChEBI | 3alpha,7alpha-Dihydroxy-5beta-cholestanic acid | ChEBI | 3alpha,7alpha-Dihydroxy-5beta-cholestanoate | ChEBI | 3alpha,7alpha-Dihydroxy-5beta-cholestanoic acid | ChEBI | 3a,7a-Dihydroxy-5b-cholestanate | Generator | 3a,7a-Dihydroxy-5b-cholestanic acid | Generator | 3Α,7α-dihydroxy-5β-cholestanate | Generator | 3Α,7α-dihydroxy-5β-cholestanic acid | Generator | 3a,7a-Dihydroxy-5b-cholestanoate | Generator | 3a,7a-Dihydroxy-5b-cholestanoic acid | Generator | 3Α,7α-dihydroxy-5β-cholestanoate | Generator | 3Α,7α-dihydroxy-5β-cholestanoic acid | Generator | 3a,7a-Dihydroxycoprostanate | Generator | 3a,7a-Dihydroxycoprostanic acid | Generator | 3alpha,7alpha-Dihydroxycoprostanate | Generator | 3Α,7α-dihydroxycoprostanate | Generator | 3Α,7α-dihydroxycoprostanic acid | Generator | 3a,7a-Dihydroxy-5b-cholestan-26-Oate | HMDB | 3a,7a-Dihydroxy-5b-cholestan-26-Oic acid | HMDB | 3alpha,7alpha-Dihydroxy-5beta-cholestan-26-Oate | HMDB | 3Α,7α-dihydroxy-5β-cholestan-26-Oate | HMDB | 3Α,7α-dihydroxy-5β-cholestan-26-Oic acid | HMDB | (3Α,5β,7α)-3,7-dihydroxycholestan-26-Oic acid | HMDB | (3a,5b,7a)-3,7-Dihydroxycholestan-26-Oic acid | HMDB | (3alpha,5beta,7alpha)-3,7-Dihydroxycholestan-26-Oic acid | HMDB | 3Α,7α-hydroxy-5β-cholestan-26-Oic acid | HMDB | 3a,7a-Hydroxy-5β-cholestan-26-Oic acid | HMDB | 3alpha,7alpha-Hydroxy-5β-cholestan-26-Oic acid | HMDB | 3a,7a-Hydroxy-5b-cholestan-26-Oate | HMDB | 3a,7a-Hydroxy-5b-cholestan-26-Oic acid | HMDB | 3alpha,7alpha-Dihydroxy-5beta-cholestan-26-Oic acid | HMDB | 3alpha,7alpha-Dihydroxycoprostanic acid | HMDB |
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Chemical Formula | C27H46O4 |
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Average Molecular Weight | 434.661 |
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Monoisotopic Molecular Weight | 434.339609961 |
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IUPAC Name | Not Available |
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Traditional Name | Not Available |
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CAS Registry Number | 17974-66-2 |
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SMILES | Not Available |
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InChI Identifier | InChI=1S/C27H46O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h16-24,28-29H,5-15H2,1-4H3,(H,30,31)/t16-,17?,18+,19-,20-,21+,22+,23-,24+,26+,27-/m1/s1 |
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InChI Key | ITZYGDKGRKKBSN-HKFUITGCSA-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 | - Dihydroxy bile acid, alcohol, or derivatives
- Steroid acid
- 3-hydroxysteroid
- 7-hydroxysteroid
- 3-alpha-hydroxysteroid
- Hydroxysteroid
- Medium-chain fatty acid
- Hydroxy fatty acid
- Fatty acyl
- Fatty acid
- Cyclic alcohol
- Secondary alcohol
- Carboxylic acid derivative
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Organic oxide
- Alcohol
- Organic oxygen compound
- Carbonyl group
- Hydrocarbon derivative
- Organooxygen compound
- 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 | Not Available |
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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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