| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-10-03 17:18:52 UTC |
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| Update Date | 2020-06-04 20:44:44 UTC |
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| BMDB ID | BMDB0008331 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | PC(20:2(11Z,14Z)/16:0) |
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| Description | PC(20:2(11Z,14Z)/16:0), also known as PC(20:2/16:0) or gpcho(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(20:2(11Z,14Z)/16:0) is considered to be a glycerophosphocholine lipid molecule. PC(20:2(11Z,14Z)/16:0) is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. PC(20:2(11Z,14Z)/16:0) exists in all eukaryotes, ranging from yeast to humans. |
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| Structure | |
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| Synonyms | | Value | Source |
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| PC(20:2/16:0) | HMDB | | GPCho(36:2) | HMDB | | Lecithin | HMDB | | Phosphatidylcholine(20:2/16:0) | HMDB | | PC(36:2) | HMDB | | Phosphatidylcholine(36:2) | HMDB | | GPCho(20:2/16:0) | HMDB | | 1-Eicosadienoyl-2-palmitoyl-sn-glycero-3-phosphocholine | HMDB | | 1-(11Z,14Z-Eicosadienoyl)-2-hexadecanoyl-sn-glycero-3-phosphocholine | HMDB | | PC(20:2(11Z,14Z)/16:0) | Lipid Annotator |
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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-(hexadecanoyloxy)-3-[(11Z,14Z)-icosa-11,14-dienoyloxy]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 | CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C |
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| InChI Identifier | InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-24-19-17-15-13-11-9-7-2/h14,16,20-21,42H,6-13,15,17-19,22-41H2,1-5H3/b16-14-,21-20-/t42-/m1/s1 |
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| InChI Key | JCABAGPMEUGRDK-UXSLIEDSSA-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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