| Record Information |
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| Version | 1.0 |
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| Creation Date | 2020-03-25 16:06:23 UTC |
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| Update Date | 2020-05-11 19:21:33 UTC |
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| BMDB ID | BMDB0096711 |
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| Secondary Accession Numbers | None |
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| Metabolite Identification |
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| Common Name | PC(O-18:0/24:0) |
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| Description | PC(o-18:0/24:0) 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-18:0/24:0), in particular, consists of one octadecyl chain to the C-1 atom, and one tetracosanoyl 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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| Phosphatidylcholine(18:0/24:0) | Lipid Annotator, HMDB | | PC(18:0/24:0) | Lipid Annotator, HMDB | | GPCho(42:0) | Lipid Annotator, HMDB | | Lecithin | Lipid Annotator, HMDB | | Phosphatidylcholine(42:0) | Lipid Annotator, HMDB | | PC(42:0) | Lipid Annotator, HMDB | | PC(o-18:0/24:0) | Lipid Annotator | | GPCho(18:0/24:0) | Lipid Annotator, HMDB | | 1-octadecanyl-2-tetracosanoyl-sn-glycero-3-phosphocholine | Lipid Annotator, HMDB | | 1-Stearyl-2-lignoceroyl-sn-glycero-3-phosphocholine | Lipid Annotator, HMDB | | PC Ae C42:0 | HMDB | | PC(O-42:0) | HMDB |
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| Chemical Formula | C50H102NO7P |
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| Average Molecular Weight | 860.3211 |
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| Monoisotopic Molecular Weight | 859.739391135 |
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| IUPAC Name | trimethyl(2-{[(2R)-3-(octadecyloxy)-2-(tetracosanoyloxy)propyl phosphono]oxy}ethyl)azanium |
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| Traditional Name | trimethyl(2-{[(2R)-3-(octadecyloxy)-2-(tetracosanoyloxy)propyl phosphono]oxy}ethyl)azanium |
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| CAS Registry Number | Not Available |
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| SMILES | [H][C@@](COCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC |
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| InChI Identifier | InChI=1S/C50H102NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-28-29-31-33-35-37-39-41-43-50(52)58-49(48-57-59(53,54)56-46-44-51(3,4)5)47-55-45-42-40-38-36-34-32-30-23-21-19-17-15-13-11-9-7-2/h49H,6-48H2,1-5H3/t49-/m1/s1 |
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| InChI Key | ZJMRQFZKFMJBAX-ANFMRNGASA-N |
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| Chemical Taxonomy |
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| 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. |
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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 | 1-alkyl,2-acylglycero-3-phosphocholines |
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| Alternative Parents | |
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| 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
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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| Status | Expected but not Quantified |
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| Origin | |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | - Cell membrane
- Intracellular membrane
- Membrane
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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 | |
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