| Record Information |
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| Version | 1.0 |
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| Creation date | 2010-04-08 22:10:16 UTC |
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| Update date | 2019-08-01 18:41:50 UTC |
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| Primary ID | FDB012626 |
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| Secondary Accession Numbers | Not Available |
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| Chemical Information |
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| FooDB Name | Nonacosane |
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| Description | Nonacosane, also known as CH3-[CH2]27-CH3, belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms. Thus, nonacosane is considered to be a hydrocarbon. Nonacosane has been detected, but not quantified in, french plantains (Musa X paradisiaca). This could make nonacosane a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on Nonacosane. |
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| CAS Number | 630-03-5 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| Not Available | Not Available |
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| Predicted Properties | Not Available |
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| Chemical Formula | C29H60 |
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| IUPAC name | |
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| InChI Identifier | InChI=1S/C29H60/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-29H2,1-2H3 |
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| InChI Key | IGGUPRCHHJZPBS-UHFFFAOYSA-N |
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| Isomeric SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
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| Average Molecular Weight | 408.7867 |
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| Monoisotopic Molecular Weight | 408.46950192 |
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| Classification |
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| Description | Belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms. |
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| Kingdom | Organic compounds |
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| Super Class | Hydrocarbons |
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| Class | Saturated hydrocarbons |
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| Sub Class | Alkanes |
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| Direct Parent | Alkanes |
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| Alternative Parents | Not Available |
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| Substituents | - Acyclic alkane
- Alkane
- 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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| Ontology | No ontology term |
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| Physico-Chemical Properties |
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| Physico-Chemical Properties - Experimental | | Property | Value | Reference |
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| Physical state | Not Available | |
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| Physical Description | Not Available | |
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| Mass Composition | C 85.21%; H 14.79% | DFC |
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| Melting Point | Mp 64° | DFC |
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| Boiling Point | Bp0.05 196-198° | DFC |
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| Experimental Water Solubility | Not Available | |
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| Experimental logP | Not Available | |
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| Experimental pKa | Not Available | |
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| Isoelectric point | Not Available | |
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| Charge | Not Available | |
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| Optical Rotation | Not Available | |
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| Spectroscopic UV Data | Not Available | |
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| Density | Not Available | |
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| Refractive Index | Not Available | |
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| Spectra |
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| Spectra | |
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| EI-MS/GC-MS | Not Available |
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| MS/MS | Not Available |
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| NMR | Not Available |
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| External Links |
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| ChemSpider ID | 11903 |
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| ChEMBL ID | CHEMBL428955 |
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| KEGG Compound ID | C08384 |
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| Pubchem Compound ID | 12409 |
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| Pubchem Substance ID | Not Available |
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| ChEBI ID | 7613 |
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| Phenol-Explorer ID | Not Available |
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| DrugBank ID | Not Available |
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| HMDB ID | HMDB34288 |
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| CRC / DFC (Dictionary of Food Compounds) ID | HJL32-V:HJL32-V |
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| EAFUS ID | Not Available |
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| Dr. Duke ID | N-NONACOSANE|NONACOSANE |
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| BIGG ID | Not Available |
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| KNApSAcK ID | C00001260 |
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| HET ID | Not Available |
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| Food Biomarker Ontology | Not Available |
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| VMH ID | Not Available |
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| Flavornet ID | Not Available |
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| GoodScent ID | Not Available |
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| SuperScent ID | Not Available |
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| Wikipedia ID | Nonacosane |
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| Phenol-Explorer Metabolite ID | Not Available |
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| Duplicate IDS | Not Available |
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| Old DFC IDS | Not Available |
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| Associated Foods |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Biological Effects and Interactions |
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| Health Effects / Bioactivities | |
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| Enzymes | Not Available |
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| Pathways | Not Available |
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| Metabolism | Not Available |
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| Biosynthesis | Not Available |
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| Organoleptic Properties |
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| Flavours | Not Available |
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| Files |
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| MSDS | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| General Reference | Not Available |
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| Content Reference | — Shinbo, Y., et al. 'KNApSAcK: a comprehensive species-metabolite relationship database.' Plant Metabolomics. Springer Berlin Heidelberg, 2006. 165-181.
— Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).
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