| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-10-03 17:20:01 UTC |
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| Update Date | 2020-06-04 19:56:21 UTC |
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| BMDB ID | BMDB0008376 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | PC(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)) |
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| Description | PC(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)), also known as pc(20:3(5z,8z,11z)/20:3(5z,8z,11z)) or pc(20:3(5z,8z,11z)/20:3(5z,8z,11z)), 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. PC(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)) is possibly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). PC(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)) participates in a number of enzymatic reactions, within cattle. In particular, S-Adenosylhomocysteine and PC(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)) can be biosynthesized from S-adenosylmethionine and pe-nme2(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)); which is mediated by the enzyme phosphatidylethanolamine N-methyltransferase. Furthermore, Cytidine monophosphate and PC(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)) can be biosynthesized from CDP-choline and DG(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)/0:0); which is mediated by the enzyme choline/ethanolaminephosphotransferase. Finally, PC(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)) and L-serine can be converted into choline and PS(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)); which is catalyzed by the enzyme phosphatidylserine synthase. In cattle, PC(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)) is involved in a couple of metabolic pathways, which include phosphatidylcholine biosynthesis PC(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)) pathway and phosphatidylethanolamine biosynthesis pe(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)) pathway. |
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| Structure | |
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| Synonyms | | Value | Source |
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| GPCho(40:6) | HMDB | | Lecithin | HMDB | | Phosphatidylcholine(40:6) | HMDB | | PC(20:3/20:3) | HMDB | | Phosphatidylcholine(20:3/20:3) | HMDB | | PC(40:6) | HMDB | | GPCho(20:3/20:3) | HMDB | | 1,2-Di(5Z,8Z,11Z-eicosatrienoyl)-rac-glycero-3-phosphocholine | HMDB | | 1,2-Dimeadoyl-rac-glycero-3-phosphocholine | HMDB | | PC(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)) | Lipid Annotator |
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| Chemical Formula | C48H84NO8P |
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| Average Molecular Weight | 834.1562 |
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| Monoisotopic Molecular Weight | 833.593455181 |
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| IUPAC Name | (2-{[(2R)-2,3-bis[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propyl phosphono]oxy}ethyl)trimethylazanium |
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| Traditional Name | (2-{[(2R)-2,3-bis[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propyl phosphono]oxy}ethyl)trimethylazanium |
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| CAS Registry Number | Not Available |
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| SMILES | [H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC |
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| InChI Identifier | InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,26-29,32-35,46H,6-19,24-25,30-31,36-45H2,1-5H3/b22-20-,23-21-,28-26-,29-27-,34-32-,35-33-/t46-/m1/s1 |
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| InChI Key | ZITMTGXPTAXDMQ-LGFSYLBFSA-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 | Not Available |
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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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