Showing metabocard for CDP-DG(16:1(9Z)/i-19:0) (MMDBc0056444)
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| Version | 1.0 | |||||||||||||
| Status | Detected and Quantified | |||||||||||||
| Creation Date | 2022-07-07 21:48:48 UTC | |||||||||||||
| Update Date | 2022-08-14 02:45:28 UTC | |||||||||||||
| MiMeDB ID | MMDBc0056444 | |||||||||||||
| Metabolite Identification | ||||||||||||||
| Common Name | CDP-DG(16:1(9Z)/i-19:0) | |||||||||||||
| Description | CDP-DG(16:1(9Z)/i-19:0) 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(16:1(9Z)/i-19:0), in particular, consists of one 9Z-hexadecenoyl chain at the C-1 position and one 17-methyloctadecanoyl 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(16:1(9Z)/i-19:0) is also a substrate of CDP-diacylglycerol pyrophosphatase. It is involved in CDP-diacylglycerol degradation pathway. | |||||||||||||
| Structure |  | |||||||||||||
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| Chemical Formula | C47H85N3O15P2 | |||||||||||||
| Average Molecular Weight | 994.151 | |||||||||||||
| Monoisotopic Molecular Weight | 993.545593045 | |||||||||||||
| IUPAC Name | Not Available | |||||||||||||
| Traditional Name | Not Available | |||||||||||||
| CAS Registry Number | Not Available | |||||||||||||
| SMILES | Not Available | |||||||||||||
| InChI Identifier | InChI=1S/C47H85N3O15P2/c1-4-5-6-7-8-9-10-12-16-19-22-25-28-31-42(51)60-35-39(63-43(52)32-29-26-23-20-17-14-11-13-15-18-21-24-27-30-38(2)3)36-61-66(56,57)65-67(58,59)62-37-40-44(53)45(54)46(64-40)50-34-33-41(48)49-47(50)55/h9-10,33-34,38-40,44-46,53-54H,4-8,11-32,35-37H2,1-3H3,(H,56,57)(H,58,59)(H2,48,49,55)/b10-9-/t39-,40-,44+,45?,46-/m1/s1 | |||||||||||||
| InChI Key | WQIQIRABXMHMTN-UCBAILOISA-N | |||||||||||||
| Chemical Taxonomy | ||||||||||||||
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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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