Showing metabocard for CDP-DG(22:1(11Z)/30:0) (MMDBc0056464)
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| Version | 1.0 | |||||||||||||
| Status | Detected and Quantified | |||||||||||||
| Creation Date | 2022-07-07 21:49:40 UTC | |||||||||||||
| Update Date | 2022-08-14 02:47:15 UTC | |||||||||||||
| MiMeDB ID | MMDBc0056464 | |||||||||||||
| Metabolite Identification | ||||||||||||||
| Common Name | CDP-DG(22:1(11Z)/30:0) | |||||||||||||
| Description | CDP-DG(22:1(11Z)/30:0) is a cytidine diphosphate diacylglycerol or CDP-diacylglycerol. It is a glycerophospholipid in which a cytidine diphosphate moiety occupies a glycerol substitution site. As is the case with diacylglycerols, CDP-diacylglycerols can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. CDP-DG(22:1(11Z)/30:0), in particular, consists of one 11Z-docosenoyl chain at the C-1 position and one tricontanoyl chain at the C-2 position. In E. coli glycerophospholipid metabolism, the biosynthesis of CDP-diacylglycerol (CDP-DG) involves condensation of phosphatidic acid (PA) and cytidine triphosphate, with elimination of pyrophosphate, catalysed by the enzyme CDP-diacylglycerol synthase. The resulting CDP-diacylglycerol can be utilized immediately for the synthesis of phosphatidylglycerol (PG), and thence cardiolipin (CL), and of phosphatidylinositol (PI). CDP-DG(22:1(11Z)/30:0) is also a substrate of CDP-diacylglycerol pyrophosphatase. It is involved in CDP-diacylglycerol degradation pathway. | |||||||||||||
| Structure |  | |||||||||||||
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| Chemical Formula | C64H119N3O15P2 | |||||||||||||
| Average Molecular Weight | 1232.61 | |||||||||||||
| Monoisotopic Molecular Weight | 1231.81164414 | |||||||||||||
| IUPAC Name | Not Available | |||||||||||||
| Traditional Name | Not Available | |||||||||||||
| CAS Registry Number | Not Available | |||||||||||||
| SMILES | Not Available | |||||||||||||
| InChI Identifier | InChI=1S/C64H119N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-46-48-50-60(69)80-56(53-77-59(68)49-47-45-43-41-39-37-35-33-31-22-20-18-16-14-12-10-8-6-4-2)54-78-83(73,74)82-84(75,76)79-55-57-61(70)62(71)63(81-57)67-52-51-58(65)66-64(67)72/h22,31,51-52,56-57,61-63,70-71H,3-21,23-30,32-50,53-55H2,1-2H3,(H,73,74)(H,75,76)(H2,65,66,72)/b31-22-/t56-,57-,61-,62-,63-/m1/s1 | |||||||||||||
| InChI Key | AXWWWUAHWYXHGS-YARZUZFWSA-N | |||||||||||||
| Chemical Taxonomy | ||||||||||||||
| Functional Ontology | ||||||||||||||
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| Physical Properties | ||||||||||||||
| State | Expected Solid | |||||||||||||
| Predicted Properties | Not Available | |||||||||||||
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| Cellular Locations | Not Available | |||||||||||||
| Biospecimen Locations | Not Available | |||||||||||||
| Tissue Locations | Not Available | |||||||||||||
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| 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 | Not Available | |||||||||||||
| PDB ID | Not Available | |||||||||||||
| ChEBI ID | Not Available | |||||||||||||
| Food Biomarker Ontology | Not Available | |||||||||||||
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| Synthesis Reference | Not Available | |||||||||||||
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