| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-10-03 18:14:49 UTC |
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| Update Date | 2020-06-04 19:20:07 UTC |
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| BMDB ID | BMDB0011224 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | PC(P-16:0/22:1(13Z)) |
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| Description | PC(P-16:0/22:1(13Z)) 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(P-16:0/22:1(13Z)), in particular, consists of one 1Z-hexadecenyl chain to the C-1 atom, and one 13Z-docosenoyl 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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| Glycerophosphocholine | MetBuilder, HMDB | | 1-(1Z-Hexadecenyl)-2-(13Z-docosenoyl)-sn-glycero-3-phosphocholine | MetBuilder, HMDB | | Glycerophosphocholine(P-16:0/22:1(13Z)) | MetBuilder, HMDB | | PC(22:1) | MetBuilder, HMDB | | gpcho(22:1) | MetBuilder, HMDB | | Phosphatidylcholine(22:1) | MetBuilder, HMDB | | PC(P-16:0/22:1) | MetBuilder, HMDB | | gpcho(P-16:0/22:1) | MetBuilder, HMDB | | Phosphatidylcholine(P-16:0/22:1) | MetBuilder, HMDB |
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| Chemical Formula | C46H90NO7P |
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| Average Molecular Weight | 800.1831 |
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| Monoisotopic Molecular Weight | 799.645490751 |
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| IUPAC Name | [2-({2-[(13Z)-docos-13-enoyloxy]-3-[(1Z)-hexadec-1-en-1-yloxy]propyl phosphonato}oxy)ethyl]trimethylazanium |
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| Traditional Name | [2-({2-[(13Z)-docos-13-enoyloxy]-3-[(1Z)-hexadec-1-en-1-yloxy]propyl phosphonato}oxy)ethyl]trimethylazanium |
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| CAS Registry Number | Not Available |
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| SMILES | CCCCCCCCCCCCCC\C=C/OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC |
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| InChI Identifier | InChI=1S/C46H90NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h20,22,38,41,45H,6-19,21,23-37,39-40,42-44H2,1-5H3/b22-20-,41-38- |
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| InChI Key | CJDGKVVSPZVIEB-NYALRLSRSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as 1-(1z-alkenyl),2-acyl-glycerophosphocholines. These are glycerophosphocholines that carry exactly one acyl chain attached to the glycerol moiety through an ester linkage at the O2-position, and one 1Z-alkenyl 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-(1Z-alkenyl),2-acyl-glycerophosphocholines |
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| Alternative Parents | |
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| Substituents | - 1-(1z-alkenyl),2-acyl-glycerophosphocholine
- Phosphocholine
- Glycerol vinyl ether
- Fatty acid ester
- Dialkyl phosphate
- Organic phosphoric acid derivative
- Phosphoric acid ester
- Alkyl phosphate
- Fatty acyl
- Quaternary ammonium salt
- Tetraalkylammonium salt
- Carboxylic acid ester
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Amine
- Organic oxide
- Organopnictogen compound
- Organooxygen compound
- Organonitrogen compound
- Organic oxygen compound
- Organic nitrogen compound
- Carbonyl group
- 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 | Solid |
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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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