CDP-DG(a-15:0/PGE2) (BioDeep_00000217862)

   

human metabolite


代谢物信息卡片


[(1R,9R,15Z,18R,21R,22S,23S,24S,26R)-26-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-4,6,21,23,24-pentahydroxy-22-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-4,6,11,19-tetraoxo-3,5,7,10,25-pentaoxa-4lambda5,6lambda5-diphosphabicyclo[16.6.2]hexacos-15-en-9-yl]methyl 12-methyltetradecanoate

化学式: C47H79N3O18P2 (1035.4834)
中文名称:
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CCCCC[C@H](O)C=C[C@H]1[C@H](O)CC(=O)[C@@H]2CC=CCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC(C)CC)COP(O)(=O)OP(O)(=O)OC[C@@H](O[C@H]2N2C=CC(N)=NC2=O)[C@@H](O)[C@H]1O
InChI: InChI=1S/C47H79N3O18P2/c1-4-6-15-21-34(51)25-26-36-38(52)29-39(53)37-22-17-13-14-19-24-43(55)66-35(30-63-42(54)23-18-12-10-8-7-9-11-16-20-33(3)5-2)31-64-69(59,60)68-70(61,62)65-32-40(45(57)44(36)56)67-46(37)50-28-27-41(48)49-47(50)58/h13,17,25-28,33-38,40,44-46,51-52,56-57H,4-12,14-16,18-24,29-32H2,1-3H3,(H,59,60)(H,61,62)(H2,48,49,58)/b17-13-,26-25-/t33?,34-,35+,36-,37-,38+,40+,44-,45+,46+/m0/s1

描述信息

CDP-DG(a-15:0/PGE2) is an oxidized CDP-diacylglycerol (CDP-DG). Oxidized CDP-diacylglycerols are glycerophospholipids in which a cytidine diphosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized CDP-diacylglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, CDP-diacylglycerols can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. CDP-DG(a-15:0/PGE2), in particular, consists of one chain of one 12-methyltetradecanoyl at the C-1 position and one chain of Prostaglandin E2 at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized CDP-DGs can be synthesized via three different routes. In one route, the oxidized CDP-DG is synthetized de novo following the same mechanisms as for CDP-DGs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the CDP-DG backbone, mainly through the action of LOX (PMID: 33329396).

同义名列表

4 个代谢物同义名

[(1R,9R,15Z,18R,21R,22S,23S,24S,26R)-26-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-4,6,21,23,24-pentahydroxy-22-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-4,6,11,19-tetraoxo-3,5,7,10,25-pentaoxa-4lambda5,6lambda5-diphosphabicyclo[16.6.2]hexacos-15-en-9-yl]methyl 12-methyltetradecanoate; [(1R,9R,15Z,18R,21R,22S,23S,24S,26R)-4,6,21,23,24-Pentahydroxy-26-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)-22-[(3S)-3-hydroxyoct-1-en-1-yl]-4,6,11,19-tetraoxo-3,5,7,10,25-pentaoxa-4,6-diphosphabicyclo[16.6.2]hexacos-15-en-9-yl]methyl 12-methyltetradecanoic acid; [(1R,9R,15Z,18R,21R,22S,23S,24S,26R)-26-(4-amino-2-oxopyrimidin-1-yl)-4,6,21,23,24-pentahydroxy-22-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-4,6,11,19-tetraoxo-3,5,7,10,25-pentaoxa-4lambda5,6lambda5-diphosphabicyclo[16.6.2]hexacos-15-en-9-yl]methyl 12-methyltetradecanoate; CDP-DG(a-15:0/PGE2)



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