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Record Information |
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| Version |
1.0 |
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| Update Date |
1/22/2018 11:54:54 AM |
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Metabolite ID | PAMDB120312 |
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Identification |
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| Name: |
phytenate |
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| Description: | Not Available |
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Structure |
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| Synonyms: | - 2E-phytenate2E-phytenic acid
- 3,7,11,15-tetramethyl-2E-hexadecenoic acid
- (E)-3,7,11,15-tetramethylhexadec-2-enoic acid
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Chemical Formula: |
C20H37O2 |
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| Average Molecular Weight: |
309.511 |
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| Monoisotopic Molecular
Weight: |
310.28717 |
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| InChI Key: |
WDWBNNBRPVEEOD-PFXVRADUSA-M |
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| InChI: | InChI=1S/C20H38O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h15-18H,6-14H2,1-5H3,(H,21,22)/p-1/b19-15+/t17-,18-/m1/s1 |
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| CAS
number: |
Not Available |
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| IUPAC Name: | Not Available |
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Traditional IUPAC Name: |
Not Available |
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| SMILES: | CC(C)CCCC(C)CCCC(C)CCCC(C)=CC(=O)[O-] |
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Chemical Taxonomy |
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Taxonomy Description | This compound 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
- Branched fatty acid
- Methyl-branched fatty acid
- Fatty acyl
- Fatty acid
- Unsaturated fatty acid
- Carboxylic acid derivative
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Hydrocarbon derivative
- Organic oxygen compound
- Carbonyl group
- Organic oxide
- Organooxygen compound
- Organic anion
- Aliphatic acyclic compound
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| Molecular Framework |
Aliphatic acyclic compounds |
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| External Descriptors |
- a small molecule (PHYTANATE)
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Physical Properties |
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| State: |
Not Available |
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| Charge: | Not Available |
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Melting point: |
Not Available |
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| Experimental Properties: |
Not Available |
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| Predicted Properties |
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Biological Properties |
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| Cellular Locations: |
Not Available |
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| Reactions: | |
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Pathways: |
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Spectra |
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| Spectra: |
Not Available |
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References |
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| References: |
Not Available |
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| Synthesis Reference: |
Not Available |
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| Material Safety Data Sheet (MSDS) |
Not Available |
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Links |
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| External Links: |
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