| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:29:51 UTC |
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| Update date | 2017-01-19 02:36:19 UTC |
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| FoodComEx ID | PC000319 |
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| FoodDB Record | FDB022252 |
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| Chemical Information |
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| Name | Phytanic acid |
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| Description | A 20-carbon branched chain fatty acid, Phytanic acid is present in animal (primarily herbivores or omnivores) tissues where it may be derived from the chlorophyll in consumed plant material. Phytanic acid derives from the corresponding alcohol, phytol, and is ultimately oxidized into pristanic acid. In phytanic acid storage disease (Refsum disease) this lipid may comprise as much as 30% of the total fatty acids in plasma. These high levels in Refsum disease (a neurological disorder) are due to a phytanic acid alpha-hydroxylase deficiency.; A 20-carbon branched chain fatty acid. In phytanic acid storage disease (Refsum disease) this lipid may comprise as much as 30% of the total fatty acids of the plasma. This is due to a phytanic acid alpha-hydroxylase deficiency. [HMDB] |
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| CAS Number | 14721-66-5 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 3,7,11,15-Tetramethyl hexadecanoate | Generator | | 3,7,11,15-Tetramethyl hexadecanoic acid | ChEBI | | 3,7,11,15-Tetramethyl-hexadecanoate | hmdb | | 3,7,11,15-Tetramethyl-hexadecanoic acid | hmdb | | 3,7,11,15-Tetramethyl-hexadecansaeure | hmdb | | 3,7,11,15-Tetramethylhexadecanoate | hmdb | | 3,7,11,15-Tetramethylhexadecanoic acid | hmdb | | 3,7,11,15-tetramethylhexadecoanoate | hmdb | | 3,7,11,15-tetramethylhexadecoanoic acid | hmdb | | Phytanate | hmdb | | Phytanoate | hmdb | | Phytanoic acid | hmdb |
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| Chemical Formula | C20H40O2 |
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| IUPAC name | 3,7,11,15-tetramethylhexadecanoic acid |
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| InChI Identifier | InChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22) |
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| InChI Key | RLCKHJSFHOZMDR-UHFFFAOYSA-N |
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| Isomeric SMILES | CC(C)CCCC(C)CCCC(C)CCCC(C)CC(O)=O |
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| Average Molecular Weight | 312.5304 |
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| Monoisotopic Molecular Weight | 312.302830524 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as acyclic diterpenoids. These are diterpenoids (compounds made of four consecutive isoprene units) that do not contain a cycle. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Prenol lipids |
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| Sub Class | Diterpenoids |
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| Direct Parent | Acyclic diterpenoids |
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| Alternative Parents | |
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| Substituents | - Acyclic diterpenoid
- Long-chain fatty acid
- Methyl-branched fatty acid
- Branched fatty acid
- Fatty acyl
- 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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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Melting Point | Not Available | |
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| Foods of Origin |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Production Data |
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| Production Method | commercial |
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| Production Method Reference | Not Available |
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| Production Method Reference File | Not Available |
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| Quantity Available | Production upon request, up to 30 mg |
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| Delivery Time | Not Available |
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| Storage Form | liquid |
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| Storage Conditions | -80°C |
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| Stability | Not Available |
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| Purity | Not Available |
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| Spectra |
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| Spectral Data Upon Request | Not Available |
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| Provider Information |
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| Commercial Vendors |
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| AKSci | 1986AH |
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| Cayman Chemical | 90360 |
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