| Record Information |
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| Version | 1.0 |
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| Creation Date | 2020-03-18 19:05:15 UTC |
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| Update Date | 2021-04-30 20:57:49 UTC |
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| Lmdb | LMDB01166 |
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| Secondary Accession Numbers | None |
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| Metabolite Identification |
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| Common Name | PC(20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) |
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| Description | PC(20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) is a phosphatidylchloline (PC). It is a glycerophospholipid in which a phosphorylcholine moiety occupies a glycerol substitution site. As is the case with diacylglycerols, phosphatidylcholines can have many different combinations of fatty acids of varying lengths and saturation attached to the C-1 and C-2 positions. PC(20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z)), in particular, consists of one 11Z,14Z-eicosadienoyl chain to the C-1 atom, and one 5Z,8Z,11Z,14Z-eicosatetraenoyl to the C-2 atom. In E. coli, PCs can be found in the integral component of the cell outer membrane. They are hydrolyzed by Phospholipases to a 2-acylglycerophosphocholine and a carboxylate. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 1-eicosadienoyl-2-arachidonoyl-sn-glycero-3-phosphocholine | Lipid Annotator, HMDB | | Phosphatidylcholine(20:2/20:4) | Lipid Annotator, HMDB | | GPCho(20:2/20:4) | Lipid Annotator, HMDB | | GPCho(40:6) | Lipid Annotator, HMDB | | PC(20:2/20:4) | Lipid Annotator, HMDB | | Lecithin | Lipid Annotator, HMDB | | Phosphatidylcholine(40:6) | Lipid Annotator, HMDB | | PC(40:6) | Lipid Annotator, HMDB | | 1-(11Z,14Z-eicosadienoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphocholine | Lipid Annotator, HMDB | | PC(20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) | Lipid Annotator |
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| Chemical Formula | Not Available |
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| Average Molecular Weight | Not Available |
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| Monoisotopic Molecular Weight | Not Available |
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| IUPAC Name | (2-{[(2R)-3-[(11Z,14Z)-icosa-11,14-dienoyloxy]-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propyl phosphono]oxy}ethyl)trimethylazanium |
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| Traditional Name | (2-{[(2R)-3-[(11Z,14Z)-icosa-11,14-dienoyloxy]-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propyl phosphono]oxy}ethyl)trimethylazanium |
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| CAS Registry Number | Not Available |
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| SMILES | |
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| InChI Identifier | Not Available |
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| InChI Key | Not Available |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as phosphatidylcholines. These are glycerophosphocholines in which the two free -OH are attached to one fatty acid each through an ester linkage. |
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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 | Glycerophosphocholines |
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| Direct Parent | Phosphatidylcholines |
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| Alternative Parents | |
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| Substituents | - Diacylglycero-3-phosphocholine
- Phosphocholine
- Fatty acid ester
- Dialkyl phosphate
- Dicarboxylic acid or derivatives
- Organic phosphoric acid derivative
- Phosphoric acid ester
- Alkyl phosphate
- Fatty acyl
- Quaternary ammonium salt
- Tetraalkylammonium salt
- Carboxylic acid ester
- Carboxylic acid derivative
- Organic oxygen compound
- Organic nitrogen compound
- Carbonyl group
- Organooxygen compound
- Organonitrogen compound
- Organic oxide
- Organopnictogen compound
- Amine
- Organic salt
- Hydrocarbon derivative
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | |
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| Ontology |
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| Status | Detected and Quantified |
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| Origin | Not Available |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | View |
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| Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | Not Available | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-001i-0000000090-a40775102b4d4f815a48 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001i-0600000090-d8c58c6fa3297db5857e | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-001i-1900041120-681ea6730c236a74fb90 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-001i-0000000090-984ea4236848a8ef68fb | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0540-0029003370-45ab92f12effac82beed | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a4i-6149000000-2f17c81e4925b63124b5 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-001i-0000000090-34edac6f4ace79854def | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001i-0600000090-1e3aed1deea007ebddb3 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-001i-1900041120-929d8875323971eb6831 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0006-0000000090-69be100d9c131d43eb56 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0006-0000000190-4beaa04d4cbeaad3182c | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0pc0-0200498220-364b7ff5c04d4bc0c55d | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-014i-0000000090-002c799c60fc4d73f51d | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-014i-0003000090-794f70cdb7032f722028 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-15mi-0009000040-1102fdf0404d1e8f94f0 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0a4i-0000000090-25d8a8b10dfd14fc7816 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0a4i-0000000190-70c32db1d1532dee3550 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-006t-0900369110-fadc6b1a53a6f3fb13cc | Spectrum |
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| Serum | Detected and Quantified | 11.7906 +/- 5.6684 uM | Normal | Ovine | | details | | Serum | Detected and Quantified | 11.5759 +/- 5.2611 uM | Normal | Ovine | | details | | Serum | Detected and Quantified | 10.868 +/- 4.0812 uM | Normal | Ovine | | details | | Serum | Detected and Quantified | 12.9962 +/- 4.3543 uM | Normal | Ovine | | details | | Serum | Detected and Quantified | 14.3261 +/- 5.3209 uM | Normal | Ovine | | details | | Serum | Detected and Quantified | 12.159 +/- 6.1592 uM | Normal | Ovine | | details | | Serum | Detected and Quantified | 12.416 +/- 5.1008 uM | Normal | Ovine | | details | | Serum | Detected and Quantified | 14.9724 +/- 6.4534 uM | Normal | Ovine | | details | | Serum | Detected and Quantified | 8.7993 +/- 3.1967 uM | Normal | Ovine | | details | | Serum | Detected and Quantified | 12.9395 +/- 4.9916 uM | Normal | Ovine | | details | | Serum | Detected and Quantified | 13.7334 +/- 7.9095 uM | Normal | Ovine | | details | | Serum | Detected and Quantified | 6.63 +/- 3.23 uM | Not Available | Ovine | | details | | Serum | Detected and Quantified | 10.1181 +/- 4.2773 uM | Normal | Ovine | | details |
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