| Record Information |
|---|
| Version | 1.0 |
|---|
| Creation Date | 2020-03-25 16:06:27 UTC |
|---|
| Update Date | 2020-05-11 19:21:34 UTC |
|---|
| BMDB ID | BMDB0096712 |
|---|
| Secondary Accession Numbers | None |
|---|
| Metabolite Identification |
|---|
| Common Name | PC(O-18:1(9Z)/22:0) |
|---|
| Description | PC(O-18:1(9Z)/22:0) 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(O-18:1(9Z)/22:0), in particular, consists of one 9Z-octadecadienyl chain to the C-1 atom, and one docosanoyl 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-Oleyl-2-behenoyl-sn-glycero-3-phosphocholine | HMDB | | Gpcho(18:1/22:0) | HMDB | | Gpcho(18:1n9/22:0) | HMDB | | Gpcho(18:1W9/22:0) | HMDB | | Gpcho(40:1) | HMDB | | Lecithin | HMDB | | PC Ae C40:1 | HMDB | | PC(18:1/22:0) | HMDB | | PC(18:1n9/22:0) | HMDB | | PC(18:1W9/22:0) | HMDB | | PC(40:1) | HMDB | | PC(O-40:1) | HMDB | | Phosphatidylcholine(18:1/22:0) | HMDB | | Phosphatidylcholine(18:1n9/22:0) | HMDB | | Phosphatidylcholine(18:1W9/22:0) | HMDB | | Phosphatidylcholine(40:1) | HMDB | | 1-(9Z-Octadecenyl)-2-docosanoyl-sn-glycero-3-phosphocholine | HMDB | | PC(o-18:1(9Z)/22:0) | Lipid Annotator |
|
|---|
| Chemical Formula | C48H96NO7P |
|---|
| Average Molecular Weight | 830.2521 |
|---|
| Monoisotopic Molecular Weight | 829.692440943 |
|---|
| IUPAC Name | (2-{[(2R)-2-(docosanoyloxy)-3-[(9Z)-octadec-9-en-1-yloxy]propyl phosphono]oxy}ethyl)trimethylazanium |
|---|
| Traditional Name | (2-{[(2R)-2-(docosanoyloxy)-3-[(9Z)-octadec-9-en-1-yloxy]propyl phosphono]oxy}ethyl)trimethylazanium |
|---|
| CAS Registry Number | Not Available |
|---|
| SMILES | [H][C@@](COCCCCCCCC\C=C/CCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC |
|---|
| InChI Identifier | InChI=1S/C48H96NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h21,23,47H,6-20,22,24-46H2,1-5H3/b23-21-/t47-/m1/s1 |
|---|
| InChI Key | VTSFZGCXFALJSV-FYAZAUILSA-N |
|---|
| Chemical Taxonomy |
|---|
| Description | belongs to the class of organic compounds known as 1-alkyl,2-acylglycero-3-phosphocholines. These are glycerophosphocholines that carry exactly one acyl chain attached to the glycerol moiety through an ester linkage at the O2-position, and one alkyl chain attached through an ether linkage at the O1-position. |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Lipids and lipid-like molecules |
|---|
| Class | Glycerophospholipids |
|---|
| Sub Class | Glycerophosphocholines |
|---|
| Direct Parent | 1-alkyl,2-acylglycero-3-phosphocholines |
|---|
| Alternative Parents | |
|---|
| Substituents | - 1-alkyl,2-acylglycero-3-phosphocholine
- Phosphocholine
- Fatty acid ester
- Dialkyl phosphate
- Glycerol ether
- Organic phosphoric acid derivative
- Phosphoric acid ester
- Fatty acyl
- Alkyl phosphate
- Tetraalkylammonium salt
- Quaternary ammonium salt
- Carboxylic acid ester
- Carboxylic acid derivative
- Dialkyl ether
- Ether
- Monocarboxylic acid or derivatives
- Organonitrogen compound
- Organopnictogen compound
- Organic oxygen compound
- Carbonyl group
- Amine
- Organic nitrogen compound
- Organooxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organic salt
- Aliphatic acyclic compound
|
|---|
| Molecular Framework | Aliphatic acyclic compounds |
|---|
| External Descriptors | |
|---|
| Ontology |
|---|
| Status | Expected but not Quantified |
|---|
| Origin | |
|---|
| Biofunction | Not Available |
|---|
| Application | Not Available |
|---|
| Cellular locations | - Cell membrane
- Intracellular membrane
- Membrane
|
|---|
| 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 | |
|---|
