Record Information |
---|
Version | 1.0 |
---|
Creation Date | 2020-03-18 19:04:53 UTC |
---|
Update Date | 2021-04-30 20:57:47 UTC |
---|
Lmdb | LMDB01153 |
---|
Secondary Accession Numbers | None |
---|
Metabolite Identification |
---|
Common Name | PC(18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z)) |
---|
Description | PC(18:3(9Z,12Z,15Z)/20:3(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(18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z)), in particular, consists of one 9Z,12Z,15Z-octadecatrienoyl chain to the C-1 atom, and one 8Z,11Z,14Z-eicosatrienoyl 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 | Value | Source |
---|
1-a-linolenoyl-2-homo-g-linolenoyl-sn-glycero-3-phosphocholine | Lipid Annotator, HMDB | GPCho(18:3/20:3) | Lipid Annotator, HMDB | PC(18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z)) | Lipid Annotator | GPCho(38:6) | Lipid Annotator, HMDB | Phosphatidylcholine(38:6) | Lipid Annotator, HMDB | PC(18:3/20:3) | Lipid Annotator, HMDB | Lecithin | Lipid Annotator, HMDB | Phosphatidylcholine(18:3/20:3) | Lipid Annotator, HMDB | 1-(9Z,12Z,15Z-octadeatrienoyl)-2-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycero-3-phosphocholine | Lipid Annotator, HMDB | PC(38:6) | Lipid Annotator, HMDB |
|
---|
Chemical Formula | Not Available |
---|
Average Molecular Weight | Not Available |
---|
Monoisotopic Molecular Weight | Not Available |
---|
IUPAC Name | (2-{[(2R)-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl phosphono]oxy}ethyl)trimethylazanium |
---|
Traditional Name | (2-{[(2R)-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl phosphono]oxy}ethyl)trimethylazanium |
---|
CAS Registry Number | Not Available |
---|
SMILES | |
---|
InChI Identifier | Not Available |
---|
InChI Key | Not Available |
---|
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 | |
---|
Ontology |
---|
Status | Detected and Quantified |
---|
Origin | Not Available |
---|
Biofunction | Not Available |
---|
Application | Not Available |
---|
Cellular locations | Not Available |
---|
Physical Properties |
---|
State | Not Available |
---|
Experimental Properties | Property | Value | Reference |
---|
Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
|
---|
Predicted Properties | |
---|
Spectra |
---|
Spectra | Spectrum Type | Description | Splash Key | View |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-000i-9082041220-271596ccc1a41524ae27 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-000i-4192021100-fbe9a1e3aeebc711c743 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-000i-9085003100-59958df93e111ec0cbef | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0pdi-0092000030-025bfb889f30b1ae0d5a | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-056r-0090000100-5fb6f044924d0f77d474 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a6r-4092000000-e16c2cdfa81dc2bd52a7 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0a4i-0000000090-489803391fb15e1d23f4 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0a59-0600000090-e0c7549473f8627cae46 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-001i-1900041210-090a85973689c73b02b8 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0006-0000000090-16b357af2387839179b0 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0006-0011000090-a90ad92fa7f31896965f | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a96-0099000090-e6fbd96b53f6230754d9 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-0000000090-6dad79f01b1173c5421f | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0zfr-0074005390-2b5f1a747e4c2ea8a64d | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-056r-7295500000-06c73c1fb0423eaa3881 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03di-0000000090-1e78e28c2730b5262b1b | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03di-0000000190-f42482894aa2a9df4b6d | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-004i-0200498220-bed1e8ca6df5d95ed732 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-004i-0000000090-8b00eebc929d9a9097df | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-004i-0000000190-71d714a518c51ee5a089 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0002-0900369110-4fcca559e523ce31c68b | Spectrum |
|
---|
| |
Serum | Detected and Quantified | 7.8418 +/- 2.3016 uM | Normal | Ovine | | details | Serum | Detected and Quantified | 8.2744 +/- 2.3208 uM | Normal | Ovine | | details | Serum | Detected and Quantified | 9.5418 +/- 2.8228 uM | Normal | Ovine | | details | Serum | Detected and Quantified | 7.5842 +/- 3.4934 uM | Normal | Ovine | | details | Serum | Detected and Quantified | 8.3775 +/- 2.5698 uM | Normal | Ovine | | details | Serum | Detected and Quantified | 8.6223 +/- 3.2163 uM | Normal | Ovine | | details | Serum | Detected and Quantified | 6.3918 +/- 1.8193 uM | Normal | Ovine | | details | Serum | Detected and Quantified | 8.3557 +/- 2.3314 uM | Normal | Ovine | | details | Serum | Detected and Quantified | 9.2211 +/- 5.335 uM | Normal | Ovine | | details | Serum | Detected and Quantified | 7.1484 +/- 2.5622 uM | Normal | Ovine | | details | Serum | Detected and Quantified | 4.39 +/- 2.12 uM | Not Available | Ovine | | details | Serum | Detected and Quantified | 7.6936 +/- 3.5597 uM | Normal | Ovine | | details | Serum | Detected and Quantified | 8.3885 +/- 3.2165 uM | Normal | Ovine | | details |
|
---|