Showing metabocard for CDP-DG(18:0/22:1(11Z)) (MMDBc0056446)
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| Version | 1.0 | |||||||||||||
| Status | Detected and Quantified | |||||||||||||
| Creation Date | 2022-07-07 21:48:52 UTC | |||||||||||||
| Update Date | 2022-08-14 02:45:38 UTC | |||||||||||||
| MiMeDB ID | MMDBc0056446 | |||||||||||||
| Metabolite Identification | ||||||||||||||
| Common Name | CDP-DG(18:0/22:1(11Z)) | |||||||||||||
| Description | CDP-DG(18:0/22:1(11Z)) 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(18:0/22:1(11Z)), in particular, consists of one octadecanoyl chain at the C-1 position and one 11Z-docosenoyl 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(18:0/22:1(11Z)) is also a substrate of CDP-diacylglycerol pyrophosphatase. It is involved in CDP-diacylglycerol degradation pathway. | |||||||||||||
| Structure |  | |||||||||||||
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| Chemical Formula | C52H95N3O15P2 | |||||||||||||
| Average Molecular Weight | 1064.286 | |||||||||||||
| Monoisotopic Molecular Weight | 1063.623843367 | |||||||||||||
| IUPAC Name | Not Available | |||||||||||||
| Traditional Name | Not Available | |||||||||||||
| CAS Registry Number | Not Available | |||||||||||||
| SMILES | Not Available | |||||||||||||
| InChI Identifier | InChI=1S/C52H95N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-48(57)68-44(41-65-47(56)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2)42-66-71(61,62)70-72(63,64)67-43-45-49(58)50(59)51(69-45)55-40-39-46(53)54-52(55)60/h20-21,39-40,44-45,49-51,58-59H,3-19,22-38,41-43H2,1-2H3,(H,61,62)(H,63,64)(H2,53,54,60)/b21-20-/t44-,45-,49-,50-,51-/m1/s1 | |||||||||||||
| InChI Key | FOCDXKXOSAAFBR-HXGFRHQXSA-N | |||||||||||||
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| 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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