| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-10-03 18:40:04 UTC |
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| Update Date | 2020-06-04 20:41:35 UTC |
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| BMDB ID | BMDB0013426 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | PC(o-18:1(9Z)/16:0) |
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| Description | PC(O-18:1(9Z)/16:0), also known as PC(O-18:1/16:0) or etc-588, 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. Thus, PC(O-18:1(9Z)/16:0) is considered to be a glycerophosphocholine lipid molecule. PC(O-18:1(9Z)/16:0) 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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| 1-Oleyl-2-palmitoyl-sn-glycero-3-phosphocholine | ChEBI | | PC(O-18:1/16:0) | ChEBI | | Gpcho(18:1/16:0) | HMDB | | Gpcho(18:1n9/16:0) | HMDB | | Gpcho(18:1W9/16:0) | HMDB | | Gpcho(34:1) | HMDB | | Lecithin | HMDB | | PC Ae C34:1 | HMDB | | PC(18:1/16:0) | HMDB | | PC(18:1n9/16:0) | HMDB | | PC(18:1W9/16:0) | HMDB | | PC(34:1) | HMDB | | PC(O-34:1) | HMDB | | Phosphatidylcholine(18:1/16:0) | HMDB | | Phosphatidylcholine(18:1n9/16:0) | HMDB | | Phosphatidylcholine(18:1W9/16:0) | HMDB | | Phosphatidylcholine(34:1) | HMDB | | 1-Oleoyl-2-palmitoyl-sn-glycero-3-phosphocholine | HMDB | | 1-Oleoyl-2-palmitoylphosphatidylcholine, (R-(Z))-isomer | HMDB | | ETC-588 | HMDB | | 1-Oleoyl-2-palmitoyl lecithin | HMDB | | 1-Oleoyl-2-palmitoylphosphatidylcholine | HMDB | | 1-(9Z-Octadecenyl)-2-hexadecanoyl-sn-glycero-3-phosphocholine | HMDB | | PC(o-18:1(9Z)/16:0) | Lipid Annotator |
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| Chemical Formula | C42H84NO7P |
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| Average Molecular Weight | 746.0926 |
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| Monoisotopic Molecular Weight | 745.598540559 |
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| IUPAC Name | (2-{[(2R)-2-(hexadecanoyloxy)-3-[(9Z)-octadec-9-en-1-yloxy]propyl phosphonato]oxy}ethyl)trimethylazanium |
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| Traditional Name | (2-{[(2R)-2-(hexadecanoyloxy)-3-[(9Z)-octadec-9-en-1-yloxy]propyl phosphonato]oxy}ethyl)trimethylazanium |
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| CAS Registry Number | Not Available |
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| SMILES | CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C |
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| InChI Identifier | InChI=1S/C42H84NO7P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-37-47-39-41(40-49-51(45,46)48-38-36-43(3,4)5)50-42(44)35-33-31-29-27-25-23-19-17-15-13-11-9-7-2/h20-21,41H,6-19,22-40H2,1-5H3/b21-20-/t41-/m1/s1 |
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| InChI Key | IQLHTKSHLGLPMG-HFWGUVFESA-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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