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Record Information |
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Version | 1.0 |
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Creation Date | 2016-09-30 22:49:46 UTC |
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Update Date | 2020-05-21 16:29:06 UTC |
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BMDB ID | BMDB0002003 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Tetracosanoic acid |
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Description | Lignoceric acid, also known as tetraeicosanoate or CH3-[CH2]22-COOH, belongs to the class of organic compounds known as very long-chain fatty acids. These are fatty acids with an aliphatic tail that contains at least 22 carbon atoms. Lignoceric acid exists as a solid, very hydrophobic, practically insoluble (in water), and relatively neutral molecule. Lignoceric acid exists in all eukaryotes, ranging from yeast to humans. Lignoceric acid is a potentially toxic compound. |
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Structure | |
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Synonyms | Value | Source |
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CH3-[CH2]22-COOH | ChEBI | Lignoceric acid | ChEBI | Lignozerinsaeure | ChEBI | N-Tetracosanoic acid | ChEBI | Tetracosanic acid | ChEBI | Tetracosansaeure | ChEBI | Tetracosoic acid | ChEBI | Tetraeicosanoic acid | ChEBI | Tetraicosanoic acid | ChEBI | Lignocerate | Generator | N-Tetracosanoate | Generator | Tetracosanate | Generator | Tetracosoate | Generator | Tetraeicosanoate | Generator | Tetraicosanoate | Generator | Tetracosanoate | Generator | Lignoceric acid, silver (1+) salt | HMDB | Lignoceric acid, sodium salt | HMDB | Lignoceric acid, potassium salt | HMDB | Tetracosanoic acid, potassium salt (1:1) | HMDB | Potassium tetracosanoate | HMDB | Tetracosanoic acid | MeSH | FA(24:0) | PhytoBank |
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Chemical Formula | C24H48O2 |
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Average Molecular Weight | 368.6367 |
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Monoisotopic Molecular Weight | 368.36543078 |
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IUPAC Name | Not Available |
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Traditional Name | Not Available |
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CAS Registry Number | 557-59-5 |
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SMILES | Not Available |
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InChI Identifier | InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26) |
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InChI Key | QZZGJDVWLFXDLK-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as very long-chain fatty acids. These are fatty acids with an aliphatic tail that contains at least 22 carbon atoms. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Fatty Acyls |
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Sub Class | Fatty acids and conjugates |
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Direct Parent | Very long-chain fatty acids |
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Alternative Parents | |
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Substituents | - Very long-chain fatty acid
- Straight chain fatty acid
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- 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 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 | - Adiposome
- Cell membrane
- Cytoplasm
- Membrane
- Peroxisome
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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 | 84.2 °C | 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 | Not Available |
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Spectra |
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Spectra | |
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Biological Properties |
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Cellular Locations | - Adiposome
- Cell membrane
- Cytoplasm
- Membrane
- Peroxisome
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Biospecimen Locations | - Fibroblasts
- Liver
- Mammary Gland
- Milk
- Oocyte
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Pathways | |
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Normal Concentrations |
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Fibroblasts | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Liver | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Liver | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Mammary Gland | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Mammary Gland | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Milk | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Oocyte | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details |
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Abnormal Concentrations |
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| Not Available |
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External Links |
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HMDB ID | HMDB0002003 |
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DrugBank ID | Not Available |
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Phenol Explorer Compound ID | Not Available |
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FooDB ID | FDB004651 |
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KNApSAcK ID | C00001223 |
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Chemspider ID | 10724 |
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KEGG Compound ID | C08320 |
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BioCyc ID | TETRACOSANOATE |
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BiGG ID | 2218057 |
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Wikipedia Link | Lignoceric_acid |
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METLIN ID | 6427 |
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PubChem Compound | 11197 |
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PDB ID | Not Available |
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ChEBI ID | 28866 |
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References |
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Synthesis Reference | Not Available |
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Material Safety Data Sheet (MSDS) | Not Available |
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General References | - Jensen RG: The composition of bovine milk lipids: January 1995 to December 2000. J Dairy Sci. 2002 Feb;85(2):295-350. doi: 10.3168/jds.S0022-0302(02)74079-4. [PubMed:11913692 ]
- Melzer N, Wittenburg D, Hartwig S, Jakubowski S, Kesting U, Willmitzer L, Lisec J, Reinsch N, Repsilber D: Investigating associations between milk metabolite profiles and milk traits of Holstein cows. J Dairy Sci. 2013 Mar;96(3):1521-34. doi: 10.3168/jds.2012-5743. [PubMed:23438684 ]
- Glasser F, Ferlay A, Chilliard Y: Oilseed lipid supplements and fatty acid composition of cow milk: a meta-analysis. J Dairy Sci. 2008 Dec;91(12):4687-703. doi: 10.3168/jds.2008-0987. [PubMed:19038946 ]
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