| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 23:47:08 UTC |
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| Update Date | 2020-06-04 20:44:41 UTC |
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| BMDB ID | BMDB0007920 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | PC(14:1(9Z)/22:1(13Z)) |
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| Description | PC(14:1(9Z)/22:1(13Z)), also known as gpcho(14:1/22:1) or PC(36:2), 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. Thus, PC(14:1(9Z)/22:1(13Z)) is considered to be a glycerophosphocholine lipid molecule. PC(14:1(9Z)/22:1(13Z)) is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. PC(14:1(9Z)/22:1(13Z)) exists in all eukaryotes, ranging from yeast to humans. PC(14:1(9Z)/22:1(13Z)) participates in a number of enzymatic reactions, within cattle. In particular, S-Adenosylhomocysteine and PC(14:1(9Z)/22:1(13Z)) can be biosynthesized from S-adenosylmethionine and pe-nme2(14:1(9Z)/22:1(13Z)); which is mediated by the enzyme phosphatidylethanolamine N-methyltransferase. Furthermore, Cytidine monophosphate and PC(14:1(9Z)/22:1(13Z)) can be biosynthesized from CDP-choline and DG(14:1(9Z)/22:1(13Z)/0:0); which is mediated by the enzyme choline/ethanolaminephosphotransferase. Finally, PC(14:1(9Z)/22:1(13Z)) and L-serine can be converted into choline and PS(14:1(9Z)/22:1(13Z)); which is mediated by the enzyme phosphatidylserine synthase. In cattle, PC(14:1(9Z)/22:1(13Z)) is involved in a couple of metabolic pathways, which include phosphatidylcholine biosynthesis PC(14:1(9Z)/22:1(13Z)) pathway and phosphatidylethanolamine biosynthesis pe(14:1(9Z)/22:1(13Z)) pathway. |
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| Structure | |
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| Synonyms | | Value | Source |
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| GPCho(14:1/22:1) | Lipid Annotator, HMDB | | PC(14:1/22:1) | Lipid Annotator, HMDB | | PC(36:2) | Lipid Annotator, HMDB | | Phosphatidylcholine(14:1/22:1) | Lipid Annotator, HMDB | | 1-myristoleoyl-2-erucoyl-sn-glycero-3-phosphocholine | Lipid Annotator, HMDB | | Phosphatidylcholine(36:2) | Lipid Annotator, HMDB | | Lecithin | Lipid Annotator, HMDB | | PC(14:1(9Z)/22:1(13Z)) | Lipid Annotator | | 1-(9Z-tetradecenoyl)-2-(13Z-docosenoyl)-sn-glycero-3-phosphocholine | Lipid Annotator, HMDB | | GPCho(36:2) | Lipid Annotator, HMDB |
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| Chemical Formula | C44H84NO8P |
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| Average Molecular Weight | 786.1134 |
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| Monoisotopic Molecular Weight | 785.593455181 |
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| IUPAC Name | (2-{[(2R)-2-[(13Z)-docos-13-enoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium |
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| Traditional Name | lecithin |
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| CAS Registry Number | Not Available |
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| SMILES | CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C |
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| InChI Identifier | InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h13,15,19-20,42H,6-12,14,16-18,21-41H2,1-5H3/b15-13-,20-19-/t42-/m1/s1 |
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| InChI Key | CGXBWJDAGMQUFG-MHJIJCEHSA-N |
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| Chemical Taxonomy |
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| 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. |
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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 | Phosphatidylcholines |
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| Alternative Parents | |
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| 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
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | |
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| Ontology |
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| Status | Detected and 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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