| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-10-03 17:14:34 UTC |
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| Update Date | 2020-06-04 20:43:58 UTC |
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| BMDB ID | BMDB0008136 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | PC(18:2(9Z,12Z)/18:1(11Z)) |
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| Description | PC(18:2(9Z,12Z)/18:1(11Z)) 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(18:2(9Z,12Z)/18:1(11Z)), in particular, consists of one 9Z,12Z-octadecadienoyl chain to the C-1 atom, and one 11Z-octadecenoyl 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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| GPCho(18:2/18:1) | HMDB | | GPCho(36:3) | HMDB | | PC(18:2/18:1) | HMDB | | PC(36:3) | HMDB | | Lecithin | HMDB | | Phosphatidylcholine(36:3) | HMDB | | Phosphatidylcholine(18:2/18:1) | HMDB | | 1-(9Z,12Z-Octadecadienoyl)-2-(11Z-octadecenoyl)-sn-glycero-3-phosphocholine | HMDB | | 1-Linoleoyl-2-vaccenoyl-sn-glycero-3-phosphocholine | HMDB | | PC(18:2(9Z,12Z)/18:1(11Z)) | Lipid Annotator |
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| Chemical Formula | C44H82NO8P |
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| Average Molecular Weight | 784.0975 |
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| Monoisotopic Molecular Weight | 783.577805117 |
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| IUPAC Name | trimethyl(2-{[(2R)-2-[(11Z)-octadec-11-enoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl phosphonato]oxy}ethyl)azanium |
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| Traditional Name | lecithin |
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| CAS Registry Number | Not Available |
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| SMILES | CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C |
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| InChI Identifier | InChI=1S/C44H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,42H,6-13,15,18,21,23-41H2,1-5H3/b16-14-,19-17-,22-20-/t42-/m1/s1 |
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| InChI Key | YPAZQMWFRMHBBM-CLKMJQEKSA-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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