| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:35:05 UTC |
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| Update Date | 2020-05-11 20:21:23 UTC |
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| BMDB ID | BMDB0000698 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Lithocholic acid glycine conjugate |
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| Description | Lithocholic acid glycine conjugate, also known as glycolithocholic acid or lithocholylglycine, belongs to the class of organic compounds known as glycinated bile acids and derivatives. Glycinated bile acids and derivatives are compounds with a structure characterized by the presence of a glycine linked to a bile acid skeleton. Lithocholic acid glycine conjugate 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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| Glycolithocholate | ChEBI | | Lithocholylglycine | ChEBI | | N-((3-alpha,5-beta)-3-Hydroxy-24-oxocholan-24-yl)glycine | ChEBI | | Glycolithocholic acid | Kegg | | N-((3-a,5-b)-3-Hydroxy-24-oxocholan-24-yl)glycine | Generator | | N-((3-Α,5-β)-3-hydroxy-24-oxocholan-24-yl)glycine | Generator | | Lithocholate glycine conjugate | Generator | | Lithocholic acid glycine conjugic acid | Generator | | 3a-Hydroxy-5b-cholanic acid glycine ester | HMDB | | 3a-Hydroxy-5b-cholanoylglycine | HMDB | | 3a-Hydroxy-N-(carboxymethyl)-5b-cholan-24-amide | HMDB | | 3alpha-Hydroxy-5beta-cholan-24-Oate | HMDB | | 3alpha-Hydroxy-5beta-cholan-24-Oic acid | HMDB | | 3alpha-Hydroxy-5beta-cholan-24-Oic acid N-(carboxymethyl)amide | HMDB | | Lithocholoyglycine | HMDB | | N-(3a-Hydroxy-5b-cholan-24-oyl)-glycine | HMDB | | N-(3a-Hydroxy-5b-cholanoyl)glycine | HMDB | | N-(Carboxymethyl)-3a-hydroxy-5b-cholan-24-amide | HMDB | | Glycolithocholic acid, monosodium salt | HMDB | | 3alpha-Hydroxy-5beta-cholanoylglycine 3-sulfate | HMDB | | 3alpha-Hydroxy-5beta-cholanoylglycine 3-sulphate | HMDB | | 3α-Hydroxy-5β-cholanoylglycine 3-sulfate | HMDB | | 3α-Hydroxy-5β-cholanoylglycine 3-sulphate | HMDB | | Glycolithocholic acid 3-sulfate | HMDB | | Glycolithocholic acid 3-sulphate | HMDB | | Glycolithocholic acid 3alpha-sulfate | HMDB | | Glycolithocholic acid 3alpha-sulphate | HMDB | | Glycolithocholic acid 3α-sulfate | HMDB | | Glycolithocholic acid 3α-sulphate | HMDB | | Glycolithocholic acid sulfate | HMDB | | Glycolithocholic acid sulphate | HMDB | | N-[(3alpha,5beta)-24-Oxo-3-(sulfooxy)cholan-24-yl]glycine | HMDB | | N-[(3α,5β)-24-Oxo-3-(sulfooxy)cholan-24-yl]glycine | HMDB | | Sulfoglycolithocholic acid | HMDB | | Sulfolithocholylglycine | HMDB |
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| Chemical Formula | C26H43NO4 |
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| Average Molecular Weight | 433.6239 |
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| Monoisotopic Molecular Weight | 433.319208869 |
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| IUPAC Name | Not Available |
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| Traditional Name | Not Available |
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| CAS Registry Number | 474-74-8 |
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| SMILES | Not Available |
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| InChI Identifier | InChI=1S/C26H43NO4/c1-16(4-9-23(29)27-15-24(30)31)20-7-8-21-19-6-5-17-14-18(28)10-12-25(17,2)22(19)11-13-26(20,21)3/h16-22,28H,4-15H2,1-3H3,(H,27,29)(H,30,31)/t16-,17-,18-,19+,20-,21+,22+,25+,26-/m1/s1 |
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| InChI Key | XBSQTYHEGZTYJE-OETIFKLTSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as glycinated bile acids and derivatives. Glycinated bile acids and derivatives are compounds with a structure characterized by the presence of a glycine linked to a bile acid skeleton. |
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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 | Glycinated bile acids and derivatives |
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| Alternative Parents | |
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| Substituents | - Glycinated bile acid
- Hydroxy bile acid, alcohol, or derivatives
- Monohydroxy bile acid, alcohol, or derivatives
- 3-hydroxysteroid
- Hydroxysteroid
- 3-alpha-hydroxysteroid
- N-acyl-alpha-amino acid
- N-acyl-alpha amino acid or derivatives
- Alpha-amino acid or derivatives
- Cyclic alcohol
- Secondary alcohol
- Carboximidic acid
- Carboximidic acid derivative
- Carboxylic acid derivative
- Carboxylic acid
- Organic 1,3-dipolar compound
- Monocarboxylic acid or derivatives
- Propargyl-type 1,3-dipolar organic compound
- Organopnictogen compound
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Carbonyl group
- Organic nitrogen compound
- Alcohol
- Organooxygen compound
- Organonitrogen 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 | |
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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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