| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-10-03 17:16:50 UTC |
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| Update Date | 2020-06-04 19:43:25 UTC |
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| BMDB ID | BMDB0008237 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | PC(18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z)) |
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| Description | PC(18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z)) 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(18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z)), in particular, consists of one 6Z,9Z,12Z,15Z-octadecatetraenoyl chain to the C-1 atom, and one 9Z,12Z-octadecadienoyl 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(18:4/18:2) | HMDB | | Phosphatidylcholine(36:6) | HMDB | | Phosphatidylcholine(18:4/18:2) | HMDB | | PC(18:4/18:2) | HMDB | | Lecithin | HMDB | | 1-Stearidonoyl-2-linoleoyl-sn-glycero-3-phosphocholine | HMDB | | PC(36:6) | HMDB | | 1-(6Z,9Z,12Z,15Z-Octadecatetraenoyl)-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine | HMDB | | GPCho(36:6) | HMDB | | PC(18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z)) | Lipid Annotator |
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| Chemical Formula | C44H76NO8P |
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| Average Molecular Weight | 778.0499 |
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| Monoisotopic Molecular Weight | 777.530854925 |
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| IUPAC Name | trimethyl(2-{[(2R)-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl phosphono]oxy}ethyl)azanium |
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| Traditional Name | trimethyl(2-{[(2R)-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl phosphono]oxy}ethyl)azanium |
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| CAS Registry Number | Not Available |
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| SMILES | [H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC |
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| InChI Identifier | InChI=1S/C44H76NO8P/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/h8,10,14-17,20-23,26,28,42H,6-7,9,11-13,18-19,24-25,27,29-41H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,28-26-/t42-/m1/s1 |
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| InChI Key | PJFKKIKARAUHQB-PMGQXJSISA-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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