CDP-DG(i-14:0/18:2(10E,12Z)+=O(9)) (BioDeep_00000218511)
human metabolite
代谢物信息卡片
化学式: C44H75N3O16P2 (963.4622330000001)
中文名称:
谱图信息:
最多检出来源 () 0%
分子结构信息
SMILES: [H][C@@](COC(=O)CCCCCCCCCCC(C)C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCCC(=O)\C=C\C=C/CCCCC
InChI: InChI=1S/C44H75N3O16P2/c1-4-5-6-7-10-15-20-25-35(48)26-21-16-13-18-23-28-40(50)61-36(31-58-39(49)27-22-17-12-9-8-11-14-19-24-34(2)3)32-59-64(54,55)63-65(56,57)60-33-37-41(51)42(52)43(62-37)47-30-29-38(45)46-44(47)53/h10,15,20,25,29-30,34,36-37,41-43,51-52H,4-9,11-14,16-19,21-24,26-28,31-33H2,1-3H3,(H,54,55)(H,56,57)(H2,45,46,53)/b15-10-,25-20+/t36-,37-,41-,42-,43-/m1/s1
描述信息
CDP-DG(i-14:0/18:2(10E,12Z)+=O(9)) 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(i-14:0/18:2(10E,12Z)+=O(9)), in particular, consists of one chain of one 12-methyltridecanoyl at the C-1 position and one chain of 9-oxo-octadecadienoyl 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
{[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({hydroxy[(2R)-3-[(12-methyltridecanoyl)oxy]-2-{[(10E,12Z)-9-oxooctadeca-10,12-dienoyl]oxy}propoxy]phosphoryl}oxy)phosphinic acid; {[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}({hydroxy[(2R)-3-[(12-methyltridecanoyl)oxy]-2-{[(10E,12Z)-9-oxooctadeca-10,12-dienoyl]oxy}propoxy]phosphoryl}oxy)phosphinate; [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy([hydroxy((2R)-3-[(12-methyltridecanoyl)oxy]-2-{[(10E,12Z)-9-oxooctadeca-10,12-dienoyl]oxy}propoxy)phosphoryl]oxy)phosphinic acid; CDP-DG(i-14:0/18:2(10E,12Z)+=O(9))
相关代谢途径
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代谢反应
0 个相关的代谢反应过程信息。
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1 个相关的物种来源信息
在这里通过桑基图来展示出与当前的这个代谢物在我们的BioDeep知识库中具有相关联信息的其他代谢物。在这里进行关联的信息来源主要有:
- PubMed: 来源于PubMed文献库中的文献信息,我们通过自然语言数据挖掘得到的在同一篇文献中被同时提及的相关代谢物列表,这个列表按照代谢物同时出现的文献数量降序排序,取前10个代谢物作为相关研究中关联性很高的代谢物集合展示在桑基图中。
- NCBI Taxonomy: 通过文献数据挖掘,得到的代谢物物种来源信息关联。这个关联信息同样按照出现的次数降序排序,取前10个代谢物作为高关联度的代谢物集合展示在桑吉图上。
- Chemical Taxonomy: 在物质分类上处于同一个分类集合中的其他代谢物
- Chemical Reaction: 在化学反应过程中,存在为当前代谢物相关联的生化反应过程中的反应底物或者反应产物的关联代谢物信息。
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