| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-10-03 18:39:34 UTC |
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| Update Date | 2020-06-04 19:58:06 UTC |
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| BMDB ID | BMDB0011334 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | PC(P-18:1(9Z)/P-18:1(9Z)) |
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| Description | PC(P-18:1(9Z)/P-18:1(9Z)) 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(P-18:1(9Z)/P-18:1(9Z)), in particular, consists of two 1Z,9Z-octadecadienyl chains at positions C-1 and C-2. 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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| (2R)-2,3-Bis[(1Z,9Z)-octadeca-1,9-dien-1-yloxy]propyl 2-(trimethylazaniumyl)ethyl phosphoric acid | HMDB |
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| Chemical Formula | C44H84NO6P |
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| Average Molecular Weight | 754.131 |
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| Monoisotopic Molecular Weight | 753.603626427 |
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| IUPAC Name | (2R)-2,3-bis[(1Z,9Z)-octadeca-1,9-dien-1-yloxy]propyl 2-(trimethylazaniumyl)ethyl phosphate |
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| Traditional Name | (2R)-2,3-bis[(1Z,9Z)-octadeca-1,9-dien-1-yloxy]propyl 2-(trimethylammonio)ethyl phosphate |
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| CAS Registry Number | Not Available |
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| SMILES | [H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCC\C=C/CCCCCCCC |
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| InChI Identifier | InChI=1S/C44H84NO6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-48-42-44(43-51-52(46,47)50-41-38-45(3,4)5)49-40-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,36-37,39-40,44H,6-19,24-35,38,41-43H2,1-5H3/b22-20-,23-21-,39-36-,40-37-/t44-/m1/s1 |
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| InChI Key | WBQMXDUFWFHART-DZZHLSRZSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as glycerophosphocholines. These are lipids containing a glycerol moiety carrying a phosphocholine at the 3-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 | Glycerophosphocholines |
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| Alternative Parents | |
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| Substituents | - Glycero-3-phosphocholine
- Phosphocholine
- Glycerol vinyl ether
- Dialkyl phosphate
- Organic phosphoric acid derivative
- Phosphoric acid ester
- Alkyl phosphate
- Quaternary ammonium salt
- Tetraalkylammonium salt
- Amine
- Organic salt
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Organooxygen compound
- Organonitrogen compound
- Organic nitrogen compound
- 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 but not 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 | |
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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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