Record Information |
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Version | 2.0 |
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Creation Date | 2012-07-30 14:54:48 -0600 |
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Update Date | 2015-06-03 17:20:50 -0600 |
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Secondary Accession Numbers | |
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Identification |
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Name: | CDP-1,2-didodecanoylglycerol |
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Description | Cdp-1,2-didodecanoylglycerol belongs to the class of CDP-Diacylglycerols. These are glycerolipids containing a diacylglycerol, with a cytidine diphosphate attached to the oxygen O1 or O2 of the glycerol part. (inferred from compound structure) |
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Structure | |
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Synonyms: | Value | Source |
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1,2-Didodecanoyl-sn-glycero-3-cytidine-5'-diphosphate | ChEBI | 1,2-Dilauroyl-sn-glycero-3-cytidine 5'-diphosphate | ChEBI | CDP-1,2-Didodecanoyl-sn-glycerol | ChEBI | CDP-1,2-Dilauroyl-sn-glycerol | ChEBI | CDP-1,2-Dilauroylglycerol | ChEBI | CDP-DG(12:0/12:0) | ChEBI | 1,2-Didodecanoyl-sn-glycero-3-cytidine-5'-diphosphoric acid | Generator | 1,2-Dilauroyl-sn-glycero-3-cytidine 5'-diphosphoric acid | Generator | CDP-1,2-Didodecanoylglycerol | ChEBI | 1,2-Didodecanoyl-sn-glycero-3-cytidine 5'-diphosphoric acid | Generator |
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Chemical Formula: | C36H65N3O15P2 |
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Weight: | Average: 841.8599 Monoisotopic: 841.389091449 |
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InChI Key: | PTPPKXVNJJIECF-LSSKPTOFSA-N |
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InChI: | InChI=1S/C36H65N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-31(40)49-25-28(52-32(41)22-20-18-16-14-12-10-8-6-4-2)26-50-55(45,46)54-56(47,48)51-27-29-33(42)34(43)35(53-29)39-24-23-30(37)38-36(39)44/h23-24,28-29,33-35,42-43H,3-22,25-27H2,1-2H3,(H,45,46)(H,47,48)(H2,37,38,44)/t28-,29-,33-,34-,35-/m1/s1 |
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CAS number: | Not Available |
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IUPAC Name: | [({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy][(2R)-2,3-bis(dodecanoyloxy)propoxy]phosphinic acid |
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Traditional IUPAC Name: | {[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(2R)-2,3-bis(dodecanoyloxy)propoxyphosphinic acid |
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SMILES: | CCCCCCCCCCCC(=O)OC[C@H](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)CCCCCCCCCCC |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as cdp-diacylglycerols. These are glycerolipids containing a diacylglycerol, with a cytidine diphosphate attached to the oxygen O1 or O2 of the glycerol part. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Glycerophospholipids |
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Sub Class | CDP-glycerols |
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Direct Parent | CDP-diacylglycerols |
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Alternative Parents | |
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Substituents | - Cdp-diacylglycerol
- Pyrimidine ribonucleoside diphosphate
- Diacyl-glycerol-3-pyrophosphate
- Pentose phosphate
- Pentose-5-phosphate
- Glycosyl compound
- N-glycosyl compound
- Monosaccharide phosphate
- Organic pyrophosphate
- Fatty acid ester
- Monoalkyl phosphate
- Hydroxypyrimidine
- Dicarboxylic acid or derivatives
- Fatty acyl
- Alkyl phosphate
- Hydropyrimidine
- Pyrimidine
- Phosphoric acid ester
- Monosaccharide
- Organic phosphoric acid derivative
- Heteroaromatic compound
- Tetrahydrofuran
- Carboxylic acid ester
- 1,2-diol
- Secondary alcohol
- Oxacycle
- Organoheterocyclic compound
- Azacycle
- Carboxylic acid derivative
- Organopnictogen compound
- Organic oxide
- Alcohol
- Organic nitrogen compound
- Hydrocarbon derivative
- Carbonyl group
- Organic oxygen compound
- Organooxygen compound
- Organonitrogen compound
- Aromatic heteromonocyclic compound
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Molecular Framework | Aromatic heteromonocyclic compounds |
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External Descriptors | Not Available |
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Physical Properties |
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State: | Not Available |
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Charge: | -2 |
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Melting point: | Not Available |
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Experimental Properties: | |
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Predicted Properties | |
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Biological Properties |
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Cellular Locations: | Membrane |
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Reactions: | |
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SMPDB Pathways: | phospholipid biosynthesis (CL(12:0(3-OH)/12:0(3-OH)/12:0/12:0)) | PW001915 | | phospholipid biosynthesis (CL(12:0/12:0/12:0/12:0)) | PW001930 | |
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KEGG Pathways: | Not Available |
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EcoCyc Pathways: | Not Available |
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Concentrations |
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| Not Available |
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Spectra |
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Spectra: | |
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References |
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References: | - Yurtsever D. (2007). Fatty acid methyl ester profiling of Enterococcus and Esherichia coli for microbial source tracking. M.sc. Thesis. Villanova University: U.S.A
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Synthesis Reference: | Not Available |
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Material Safety Data Sheet (MSDS) | Not Available |
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Links |
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External Links: | Resource | Link |
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CHEBI ID | 34046 | HMDB ID | Not Available | Pubchem Compound ID | 118987286 | Kegg ID | Not Available | ChemSpider ID | Not Available | Wikipedia ID | Not Available | BioCyc ID | Not Available |
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