| Identification |
|---|
| YMDB ID | YMDB13660 |
|---|
| Name | PC(15:1(9Z)/20:1(11Z)) |
|---|
| Species | Saccharomyces cerevisiae |
|---|
| Strain | Brewer's yeast |
|---|
| Description | PC(15:1(9Z)/20:1(11Z)) 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(15:1(9Z)/20:1(11Z)), in particular, consists of one 9Z-pentadecenoyl chain to the C-1 atom, and one 11Z-eicosenoyl 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. |
|---|
| Structure | |
|---|
| Synonyms | Not Available |
|---|
| CAS number | Not Available |
|---|
| Weight | Average: 772.102
Monoisotopic: 771.577805602 |
|---|
| InChI Key | NOFVNJBAOZZAJT-PHNHSUJYSA-N |
|---|
| InChI | InChI=1S/C43H82NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44(3,4)5)39-49-42(45)35-33-31-29-27-25-19-17-15-13-11-9-7-2/h15,17,20-21,41H,6-14,16,18-19,22-40H2,1-5H3/b17-15-,21-20-/t41-/m1/s1 |
|---|
| IUPAC Name | (2-{[(2R)-2-[(11Z)-icos-11-enoyloxy]-3-[(9Z)-pentadec-9-enoyloxy]propyl phosphono]oxy}ethyl)trimethylazanium |
|---|
| Traditional IUPAC Name | (2-{[(2R)-2-[(11Z)-icos-11-enoyloxy]-3-[(9Z)-pentadec-9-enoyloxy]propyl phosphono]oxy}ethyl)trimethylazanium |
|---|
| Chemical Formula | C43H82NO8P |
|---|
| SMILES | [H][C@@](COC(=O)CCCCCCC\C=C/CCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCCCC |
|---|
| Chemical Taxonomy |
|---|
| 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. |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Lipids and lipid-like molecules |
|---|
| Class | Glycerophospholipids |
|---|
| Sub Class | Glycerophosphocholines |
|---|
| Direct Parent | Phosphatidylcholines |
|---|
| Alternative Parents | |
|---|
| 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
|
|---|
| Molecular Framework | Aliphatic acyclic compounds |
|---|
| External Descriptors | |
|---|
| Physical Properties |
|---|
| State | Solid |
|---|
| Charge | 0 |
|---|
| Melting point | Not Available |
|---|
| Experimental Properties | | Property | Value | Reference |
|---|
| Water Solubility | Not Available | PhysProp | | LogP | Not Available | PhysProp |
|
|---|
| Predicted Properties | |
|---|
| Biological Properties |
|---|
| Cellular Locations | - Endoplasmic reticulum
- Mitochondria
|
|---|
| Organoleptic Properties | Not Available |
|---|
| SMPDB Pathways | | Phosphatidylcholine biosynthesis PC(15:1(9Z)/20:1(11Z)) | PW002919 |    |
|
|---|
| KEGG Pathways | Not Available |
|---|
| SMPDB Reactions | Not Available |
|---|
| KEGG Reactions | Not Available |
|---|
| Concentrations |
|---|
| Intracellular Concentrations | Not Available |
|---|
| Extracellular Concentrations | Not Available |
|---|
| Spectra |
|---|
| Spectra | | Spectrum Type | Description | Splash Key | View |
|---|
| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03e9-0000690700-adebde621200a640f61d | JSpectraViewer |
|
|---|
| References |
|---|
| References: | - Rattray JB, Schibeci A, Kidby DK. (1975). "Lipids of yeasts." Bacteriol Rev. 1975 Sep;39(3):197-231.240350
|
|---|
| Synthesis Reference: | Not Available |
|---|
| External Links: | | Resource | Link |
|---|
| CHEBI ID | Not Available | | HMDB ID | Not Available | | Pubchem Compound ID | 52922384 | | Kegg ID | Not Available | | ChemSpider ID | Not Available | | FOODB ID | Not Available | | Wikipedia ID | Not Available | | BioCyc ID | Not Available |
|
|---|
