| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-10-03 18:13:37 UTC |
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| Update Date | 2020-04-22 15:42:56 UTC |
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| BMDB ID | BMDB0011148 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | PC(18:1(9Z)e/2:0) |
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| Description | PC(18:1(9Z)e/2:0), also known as PC(O-18:1(9Z)/2:0), belongs to the class of organic compounds known as 1-alkyl,2-acetylglycero-3-phosphocholines. These are glycerophosphocholines that carry exactly one acetyl 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. Thus, PC(18:1(9Z)e/2:0) is considered to be a glycerophosphocholine lipid molecule. PC(18:1(9Z)e/2:0) is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. |
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| Structure | |
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| Synonyms | | Value | Source |
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| (2-Acetyloxy-3-octadec-9-enoxypropyl) 2-trimethylazaniumylethyl phosphate | HMDB | | 2-Acetyl-1-(9Z-octadecenyl)-sn-glycero-3-phosphocholine | HMDB | | PC(O-18:1(9Z)/2:0) | HMDB |
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| Chemical Formula | C28H56NO7P |
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| Average Molecular Weight | 549.7205 |
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| Monoisotopic Molecular Weight | 549.379439663 |
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| IUPAC Name | (2-{[(2R)-2-(acetyloxy)-3-[(9Z)-octadec-9-en-1-yloxy]propyl phosphonato]oxy}ethyl)trimethylazanium |
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| Traditional Name | platelet-activating factor |
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| CAS Registry Number | Not Available |
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| SMILES | CCCCCCCC\C=C/CCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(C)=O |
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| InChI Identifier | InChI=1S/C28H56NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-33-25-28(36-27(2)30)26-35-37(31,32)34-24-22-29(3,4)5/h13-14,28H,6-12,15-26H2,1-5H3/b14-13-/t28-/m1/s1 |
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| InChI Key | ZBOQHUSCQCEBGK-JLRCLJKCSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as 1-alkyl,2-acetylglycero-3-phosphocholines. These are glycerophosphocholines that carry exactly one acetyl 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-acetylglycero-3-phosphocholines |
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| Alternative Parents | |
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| Substituents | - 1-alkyl,2-acetylglycero-3-phosphocholine
- Phosphocholine
- Glycerol ether
- Dialkyl phosphate
- Organic phosphoric acid derivative
- Phosphoric acid ester
- Alkyl phosphate
- Tetraalkylammonium salt
- Quaternary ammonium salt
- Carboxylic acid ester
- Carboxylic acid derivative
- Dialkyl ether
- Ether
- Monocarboxylic acid or derivatives
- Organooxygen compound
- Organonitrogen compound
- Organic oxygen compound
- Carbonyl group
- Amine
- Organic nitrogen compound
- Organopnictogen 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 | Expected 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 | - 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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