Showing metabocard for ursodeoxycholoyl-CoA (MMDBc0056367)
| Record Information | ||||||||||||||
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| Version | 1.0 | |||||||||||||
| Status | Detected and Quantified | |||||||||||||
| Creation Date | 2022-06-17 20:23:51 UTC | |||||||||||||
| Update Date | 2022-08-12 20:09:42 UTC | |||||||||||||
| MiMeDB ID | MMDBc0056367 | |||||||||||||
| Metabolite Identification | ||||||||||||||
| Common Name | ursodeoxycholoyl-CoA | |||||||||||||
| Description | Ursodeoxycholoyl-CoA belongs to the class of organic compounds known as 2,3,4-saturated fatty acyl coas. These are acyl-CoAs carrying a 2,3,4-saturated fatty acyl chain. Based on a literature review very few articles have been published on Ursodeoxycholoyl-CoA. | |||||||||||||
| Structure |  | |||||||||||||
| Synonyms | Not Available | |||||||||||||
| Chemical Formula | C45H70N7O19P3S | |||||||||||||
| Average Molecular Weight | 1138.07 | |||||||||||||
| Monoisotopic Molecular Weight | 1137.36819955 | |||||||||||||
| IUPAC Name | Not Available | |||||||||||||
| Traditional Name | Not Available | |||||||||||||
| CAS Registry Number | Not Available | |||||||||||||
| SMILES | Not Available | |||||||||||||
| InChI Identifier | InChI=1S/C45H74N7O19P3S/c1-24(27-7-8-28-34-29(11-14-45(27,28)5)44(4)13-10-26(53)18-25(44)19-30(34)54)6-9-33(56)75-17-16-47-32(55)12-15-48-41(59)38(58)43(2,3)21-68-74(65,66)71-73(63,64)67-20-31-37(70-72(60,61)62)36(57)42(69-31)52-23-51-35-39(46)49-22-50-40(35)52/h22-31,34,36-38,42,53-54,57-58H,6-21H2,1-5H3,(H,47,55)(H,48,59)(H,63,64)(H,65,66)(H2,46,49,50)(H2,60,61,62)/p-4/t24-,25+,26-,27-,28+,29+,30+,31-,34+,36-,37-,38+,42-,44+,45-/m1/s1 | |||||||||||||
| InChI Key | IIWDDMINEZBCTG-AIDYBKPZSA-J | |||||||||||||
| Chemical Taxonomy | ||||||||||||||
| Description | Belongs to the class of organic compounds known as 2,3,4-saturated fatty acyl coas. These are acyl-CoAs carrying a 2,3,4-saturated fatty acyl chain. | |||||||||||||
| Kingdom | Organic compounds | |||||||||||||
| Super Class | Lipids and lipid-like molecules | |||||||||||||
| Class | Fatty Acyls | |||||||||||||
| Sub Class | Fatty acyl thioesters | |||||||||||||
| Direct Parent | 2,3,4-saturated fatty acyl CoAs | |||||||||||||
| Alternative Parents |
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| Substituents |
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| Molecular Framework | Aromatic heteropolycyclic compounds | |||||||||||||
| External Descriptors | Not Available | |||||||||||||
| Functional Ontology | ||||||||||||||
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| Physical Properties | ||||||||||||||
| State | Expected Solid | |||||||||||||
| Predicted Properties | Not Available | |||||||||||||
| Spectra | ||||||||||||||
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| Biological Properties | ||||||||||||||
| Cellular Locations | Not Available | |||||||||||||
| Biospecimen Locations | Not Available | |||||||||||||
| Tissue Locations | Not Available | |||||||||||||
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| External Links | ||||||||||||||
| HMDB ID | Not Available | |||||||||||||
| DrugBank ID | Not Available | |||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||
| FooDB ID | Not Available | |||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||
| Chemspider ID | Not Available | |||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||
| BioCyc ID | Not Available | |||||||||||||
| BiGG ID | Not Available | |||||||||||||
| Wikipedia Link | Not Available | |||||||||||||
| METLIN ID | Not Available | |||||||||||||
| PubChem Compound | 129626816 | |||||||||||||
| PDB ID | Not Available | |||||||||||||
| ChEBI ID | 137679 | |||||||||||||
| Food Biomarker Ontology | Not Available | |||||||||||||
| References | ||||||||||||||
| Synthesis Reference | Not Available | |||||||||||||
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