Showing metabocard for CDP-DG(16:0/12:0(3-OH)) (MMDBc0056436)
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| Version | 1.0 | |||||||||||||
| Status | Detected and Quantified | |||||||||||||
| Creation Date | 2022-07-07 21:48:33 UTC | |||||||||||||
| Update Date | 2022-08-14 02:44:41 UTC | |||||||||||||
| MiMeDB ID | MMDBc0056436 | |||||||||||||
| Metabolite Identification | ||||||||||||||
| Common Name | CDP-DG(16:0/12:0(3-OH)) | |||||||||||||
| Description | CDP-DG(16:0/12:0(3-OH)) 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(16:0/12:0(3-OH)), in particular, consists of one hexadecanoyl chain at the C-1 position and one 3-hydroxydodecanoyl 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(16:0/12:0(3-OH)) is also a substrate of CDP-diacylglycerol pyrophosphatase. It is involved in CDP-diacylglycerol degradation pathway. | |||||||||||||
| Structure |  | |||||||||||||
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| Chemical Formula | C40H73N3O16P2 | |||||||||||||
| Average Molecular Weight | 913.977 | |||||||||||||
| Monoisotopic Molecular Weight | 913.446607279 | |||||||||||||
| IUPAC Name | Not Available | |||||||||||||
| Traditional Name | Not Available | |||||||||||||
| CAS Registry Number | Not Available | |||||||||||||
| SMILES | Not Available | |||||||||||||
| InChI Identifier | InChI=1S/C40H73N3O16P2/c1-3-5-7-9-11-12-13-14-15-16-18-20-22-24-35(45)54-28-32(57-36(46)27-31(44)23-21-19-17-10-8-6-4-2)29-55-60(50,51)59-61(52,53)56-30-33-37(47)38(48)39(58-33)43-26-25-34(41)42-40(43)49/h25-26,31-33,37-39,44,47-48H,3-24,27-30H2,1-2H3,(H,50,51)(H,52,53)(H2,41,42,49)/t31?,32-,33-,37+,38?,39-/m1/s1 | |||||||||||||
| InChI Key | BRJHQWYCKSOIMU-FOFBOHEMSA-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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