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 | ||||||||||||||
Not Available | ||||||||||||||
Physical Properties | ||||||||||||||
State | Expected Solid | |||||||||||||
Predicted Properties | Not Available | |||||||||||||
Spectra | ||||||||||||||
Not Available | ||||||||||||||
Biological Properties | ||||||||||||||
Cellular Locations | Not Available | |||||||||||||
Biospecimen Locations | Not Available | |||||||||||||
Tissue Locations | Not Available | |||||||||||||
Associated OMIM IDs | ||||||||||||||
Human Proteins and Enzymes | ||||||||||||||
Proteins | ||||||||||||||
Human Pathways | ||||||||||||||
Pathways |
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Metabolic Reactions | ||||||||||||||
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Health Effects and Bioactivity | ||||||||||||||
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Microbial Sources |
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Exposure Sources | ||||||||||||||
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Host Biospecimen and Location | ||||||||||||||
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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 | |||||||||||||
General References |
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