| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-10-03 17:14:23 UTC |
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| Update Date | 2020-06-04 19:46:43 UTC |
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| BMDB ID | BMDB0008130 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | PC(18:2(9Z,12Z)/14:0) |
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| Description | PC(18:2(9Z,12Z)/14:0), also known as PC(32:2) or gpcho(18:2/14:0), 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. Thus, PC(18:2(9Z,12Z)/14:0) is considered to be a glycerophosphocholine lipid molecule. PC(18:2(9Z,12Z)/14:0) 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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| PC(32:2) | Lipid Annotator, HMDB | | GPCho(18:2/14:0) | Lipid Annotator, HMDB | | PC(18:2(9Z,12Z)/14:0) | Lipid Annotator | | Phosphatidylcholine(32:2) | Lipid Annotator, HMDB | | 1-linoleoyl-2-myristoyl-sn-glycero-3-phosphocholine | Lipid Annotator, HMDB | | Lecithin | Lipid Annotator, HMDB | | GPCho(32:2) | Lipid Annotator, HMDB | | Phosphatidylcholine(18:2/14:0) | Lipid Annotator, HMDB | | 1-(9Z,12Z-octadecadienoyl)-2-tetradecanoyl-sn-glycero-3-phosphocholine | Lipid Annotator, HMDB | | PC(18:2/14:0) | Lipid Annotator, HMDB |
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| Chemical Formula | C40H76NO8P |
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| Average Molecular Weight | 730.0071 |
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| Monoisotopic Molecular Weight | 729.530854925 |
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| IUPAC Name | trimethyl(2-{[(2R)-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-2-(tetradecanoyloxy)propyl phosphono]oxy}ethyl)azanium |
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| Traditional Name | trimethyl(2-{[(2R)-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-2-(tetradecanoyloxy)propyl phosphono]oxy}ethyl)azanium |
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| CAS Registry Number | Not Available |
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| SMILES | [H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC |
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| InChI Identifier | InChI=1S/C40H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-22-17-15-13-11-9-7-2/h14,16,19-20,38H,6-13,15,17-18,21-37H2,1-5H3/b16-14-,20-19-/t38-/m1/s1 |
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| InChI Key | IORKBJYFXXCDMP-GMGFYYQASA-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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| All Tissues | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | | Blood | Detected and Quantified | 4 +/- 1 uM | Not Specified | Not Specified | Normal | | details | | Liver | Detected and Quantified | 3 +/- 1 nmol/g of tissue | Not Specified | Not Specified | Normal | | details | | Longissimus Thoracis Muscle | Detected and Quantified | 1.7 +/- 0.4 nmol/g of tissue | Not Specified | Not Specified | Normal | | details | | Milk | Detected and Quantified | 0.63 +/- 0.01 uM | Not Specified | Not Specified | Normal | | details | | Milk | Detected and Quantified | 0.83 +/- 0.02 uM | Not Specified | Not Specified | Normal | | details | | Milk | Detected and Quantified | 1.00 +/- 0.05 uM | Not Specified | Not Specified | Normal | | details | | Milk | Detected and Quantified | 0.61 +/- 0.01 uM | Not Specified | Not Specified | Normal | | details | | Ruminal Fluid | Detected and Quantified | 0.048 +/- 0.024 uM | Not Specified | Not Specified | Normal | | details | | Ruminal Fluid | Detected and Quantified | 0.034 +/- 0.003 uM | Not Specified | Not Specified | Normal | | details | | Semimembranosus Muscle | Detected and Quantified | 3 +/- 2 nmol/g of tissue | Not Specified | Not Specified | Normal | | details | | Testis | Detected and Quantified | 0.5 +/- 0.1 nmol/g of tissue | Not Specified | Not Specified | Normal | | details |
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