| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-10-03 18:39:48 UTC |
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| Update Date | 2020-06-04 20:40:57 UTC |
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| BMDB ID | BMDB0013409 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | PC(o-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) |
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| Description | PC(O-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 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(O-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)), in particular, consists of one hexadecyl chain to the C-1 atom, and one 4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl 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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| 1-Palmityl-2-docosahexaenoyl-sn-glycero-3-phosphocholine | ChEBI | | Gpcho(16:0/22:6) | HMDB | | Gpcho(16:0/22:6n3) | HMDB | | Gpcho(16:0/22:6W3) | HMDB | | Gpcho(38:6) | HMDB | | Lecithin | HMDB | | PC Ae C38:6 | HMDB | | PC(16:0/22:6) | HMDB | | PC(16:0/22:6n3) | HMDB | | PC(16:0/22:6W3) | HMDB | | PC(38:6) | HMDB | | PC(O-38:6) | HMDB | | Phosphatidylcholine(16:0/22:6) | HMDB | | Phosphatidylcholine(16:0/22:6n3) | HMDB | | Phosphatidylcholine(16:0/22:6W3) | HMDB | | Phosphatidylcholine(38:6) | HMDB | | 1-Hexadecanyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine | HMDB | | PC(o-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | Lipid Annotator | | 1-Hexadecyl-2-docosahexaenoyl-GPC | HMDB | | 1-Hexadecyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine | HMDB | | 1-Hexadecyl-2-docosahexaenoyl-sn-glycero-phosphatidylcholine | HMDB | | 2-O-(4,7,10,13,16,19-Docosahexaenoyl)-1-O-hexadecylglycero-3-phosphocholine | HMDB | | GPC(16:0/22:6) | HMDB | | GPC(16:0/22:6n3) | HMDB | | GPC(16:0/22:6w3) | HMDB | | GPC(38:6) | HMDB | | GPC(O-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | HMDB | | GPCho(O-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | HMDB | | Phosphatidylcholine(O-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | HMDB |
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| Chemical Formula | C46H82NO7P |
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| Average Molecular Weight | 792.1195 |
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| Monoisotopic Molecular Weight | 791.582890495 |
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| IUPAC Name | (2-{[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-(hexadecyloxy)propyl phosphono]oxy}ethyl)trimethylazanium |
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| Traditional Name | (2-{[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-(hexadecyloxy)propyl phosphono]oxy}ethyl)trimethylazanium |
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| CAS Registry Number | Not Available |
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| SMILES | CCCCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC |
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| InChI Identifier | InChI=1S/C46H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,27,29,33,35,45H,6-7,9,11-13,15,17-19,21,23,26,28,30-32,34,36-44H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,29-27-,35-33-/t45-/m1/s1 |
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| InChI Key | QQQQNYAHSSIZBU-HIQXTUQZSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as 1-alkyl,2-acylglycero-3-phosphocholines. These are glycerophosphocholines that carry exactly one acyl chain attached to the glycerol moiety through an ester linkage at the O2-position, and one alkyl chain attached through an ether linkage at the O1-position. |
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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 | 1-alkyl,2-acylglycero-3-phosphocholines |
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| Alternative Parents | |
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| Substituents | - 1-alkyl,2-acylglycero-3-phosphocholine
- Phosphocholine
- Fatty acid ester
- Dialkyl phosphate
- Glycerol ether
- Organic phosphoric acid derivative
- Phosphoric acid ester
- Fatty acyl
- Alkyl phosphate
- Tetraalkylammonium salt
- Quaternary ammonium salt
- Carboxylic acid ester
- Carboxylic acid derivative
- Dialkyl ether
- Ether
- Monocarboxylic acid or derivatives
- Organonitrogen compound
- Organopnictogen compound
- Organic oxygen compound
- Carbonyl group
- Amine
- Organic nitrogen compound
- Organooxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organic salt
- 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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