| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:30:07 UTC |
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| Update date | 2017-01-19 02:36:20 UTC |
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| FoodComEx ID | PC000352 |
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| FoodDB Record | FDB010033 |
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| Chemical Information |
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| Name | Pentadecanoic acid |
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| Description | A fatty acid of exogenous (primarily ruminant) origin. Many "odd" length long chain amino acids are derived from the consumption of dairy fats (milk and meat). Pentadecanoic acid constitutes 1.05% of milk fat and 0.43% of ruminant meat fat. The content of heptadecanoic acid in the subcutaneous adipose tissue of humans appears to be a good biological marker of long-term milk fat intake in free-living individuals in populations with high consumption of dairy products. (PMID 9701185; PMID 11238766). Pentadecanoic acid is found in many foods, some of which are common bean, coriander, pepper (c. annuum), and hamburger. |
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| CAS Number | 1002-84-2 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 123I-15-(p-iodophenyl)-3-R,S-methylpentadecanoic acid | biospider | | I-123 BMIPP | biospider | | I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid | biospider | | N-pentadecanoate | biospider | | N-pentadecanoic acid | biospider | | N-pentadecylate | biospider | | N-pentadecylic acid | biospider | | Pentadecanoate | biospider | | Pentadecanoic (palmitic) acid | biospider | | Pentadecyclate | biospider | | Pentadecyclic acid | biospider | | Pentadecylate | Generator | | Pentadecylic acid | biospider |
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| Chemical Formula | C15H30O2 |
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| IUPAC name | pentadecanoic acid |
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| InChI Identifier | InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17) |
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| InChI Key | WQEPLUUGTLDZJY-UHFFFAOYSA-N |
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| Isomeric SMILES | CCCCCCCCCCCCCCC(O)=O |
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| Average Molecular Weight | 242.3975 |
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| Monoisotopic Molecular Weight | 242.224580204 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 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 | Long-chain fatty acids |
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| Alternative Parents | |
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| Substituents | - 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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| 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 | 52.3 oC | |
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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 1 g |
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| Delivery Time | Not Available |
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| Storage Form | solid |
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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 | 6303AF |
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| Cayman Chemical | 17399 |
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| MetaSci | HMDB0000826 |
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| Sigma-Aldrich | HMDB0000826 |
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| Toronto Research Chemicals | P220480 |
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