Record Information |
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Version | 1.0 |
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Creation Date | 2016-09-30 22:33:49 UTC |
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Update Date | 2020-05-11 20:08:56 UTC |
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BMDB ID | BMDB0000626 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Deoxycholic acid |
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Description | Deoxycholic acid, also known as deoxycholate or acid, deoxycholic, 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. Deoxycholic 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,5ALPHA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID | ChEBI | (3alpha,5beta,12alpha)-3,12-Dihydroxycholan-24-Oic acid | ChEBI | 3alpha,12alpha-Dihydroxy-5beta-cholanic acid | ChEBI | 7alpha-Deoxycholic acid | ChEBI | Desoxycholic acid | ChEBI | Desoxycholsaeure | ChEBI | Deoxycholate | Kegg | 3alpha,12alpha-Dihydroxy-5beta-cholanate | Kegg | (3a,5a,12a)-3,12-DIHYDROXYCHOLAN-24-Oate | Generator | (3a,5a,12a)-3,12-DIHYDROXYCHOLAN-24-Oic acid | Generator | (3alpha,5alpha,12alpha)-3,12-DIHYDROXYCHOLAN-24-Oate | Generator | (3Α,5α,12α)-3,12-dihydroxycholan-24-Oate | Generator | (3Α,5α,12α)-3,12-dihydroxycholan-24-Oic acid | Generator | (3a,5b,12a)-3,12-Dihydroxycholan-24-Oate | Generator | (3a,5b,12a)-3,12-Dihydroxycholan-24-Oic acid | Generator | (3alpha,5beta,12alpha)-3,12-Dihydroxycholan-24-Oate | Generator | (3Α,5β,12α)-3,12-dihydroxycholan-24-Oate | Generator | (3Α,5β,12α)-3,12-dihydroxycholan-24-Oic acid | Generator | 3a,12a-Dihydroxy-5b-cholanate | Generator | 3a,12a-Dihydroxy-5b-cholanic acid | Generator | 3Α,12α-dihydroxy-5β-cholanate | Generator | 3Α,12α-dihydroxy-5β-cholanic acid | Generator | 7a-Deoxycholate | Generator | 7a-Deoxycholic acid | Generator | 7alpha-Deoxycholate | Generator | 7Α-deoxycholate | Generator | 7Α-deoxycholic acid | Generator | Desoxycholate | Generator | 5b-Cholanic acid-3a,12a-diol | HMDB | 5b-Deoxycholate | HMDB | 5b-Deoxycholic acid | HMDB | 7-Deoxycholate | HMDB | 7-Deoxycholic acid | HMDB | Cholerebic | HMDB | Cholorebic | HMDB | Degalol | HMDB | Deoxy-cholate | HMDB | Deoxy-cholic acid | HMDB | Deoxycholatate | HMDB | Deoxycholatic acid | HMDB | Acid, lagodeoxycholic | HMDB | Deoxycholic acid, 5alpha isomer | HMDB | Deoxycholic acid, sodium salt, 12beta-isomer | HMDB | Lagodeoxycholic acid | HMDB | Acid, choleic | HMDB | Deoxycholic acid, 12beta isomer | HMDB | Deoxycholic acid, 3beta-isomer | HMDB | Deoxycholic acid, monoammonium salt | HMDB | 12beta-Isomer deoxycholic acid | HMDB | 3beta-Isomer deoxycholic acid | HMDB | Acid, 5alpha-isomer deoxycholic | HMDB | Acid, deoxycholic | HMDB | Acid, desoxycholic | HMDB | Deoxycholate, sodium | HMDB | Deoxycholic acid, 12beta-isomer | HMDB | Deoxycholic acid, 5alpha-isomer | HMDB | Deoxycholic acid, monopotassium salt | HMDB | Deoxycholic acid, monosodium salt | HMDB | 5alpha-Isomer deoxycholic acid | HMDB | Acid, dihydroxycholanoic | HMDB | Choleic acid | HMDB | Deoxycholic acid, 3beta isomer | HMDB | Deoxycholic acid, disodium salt | HMDB | Deoxycholic acid, magnesium (2:1) salt | HMDB | Dihydroxycholanoic acid | HMDB | Sodium deoxycholate | HMDB |
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Chemical Formula | C24H40O4 |
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Average Molecular Weight | 392.572 |
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Monoisotopic Molecular Weight | 392.292659768 |
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IUPAC Name | Not Available |
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Traditional Name | Not Available |
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CAS Registry Number | 83-44-3 |
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SMILES | Not Available |
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InChI Identifier | InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1 |
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InChI Key | KXGVEGMKQFWNSR-LLQZFEROSA-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
- 3-hydroxysteroid
- 3-alpha-hydroxysteroid
- 12-hydroxysteroid
- Hydroxysteroid
- Cyclic alcohol
- Secondary alcohol
- Carboxylic acid
- Carboxylic acid derivative
- Monocarboxylic acid or derivatives
- Organooxygen compound
- Organic oxygen compound
- Hydrocarbon derivative
- Organic oxide
- Carbonyl group
- Alcohol
- 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 | Detected 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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