| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:27:55 UTC |
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| Update date | 2017-01-19 02:36:11 UTC |
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| FoodComEx ID | PC000068 |
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| FoodDB Record | FDB010409 |
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| Chemical Information |
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| Name | Tridecanoic acid |
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| Description | Tridecanoic acid is a short-chain fatty acid. Tridecanoic acid is found in many foods, some of which are nutmeg, muskmelon, black elderberry, and coconut. |
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| CAS Number | 638-53-9 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| (S)-2-Aminotridecanoate | biospider | | (S)-2-Aminotridecanoic acid | biospider | | 2S-Amino-tridecanoate | biospider | | 2S-Amino-tridecanoic acid | biospider | | N-tridecanoate | biospider | | N-tridecanoic acid | biospider | | N-tridecoate | biospider | | N-tridecoic acid | biospider | | TDA | biospider | | Tridecanoate | biospider | | Tridecanoic acid | biospider | | Tridecylate | biospider | | Tridecylic acid | biospider |
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| Chemical Formula | C13H26O2 |
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| IUPAC name | tridecanoic acid |
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| InChI Identifier | InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15) |
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| InChI Key | SZHOJFHSIKHZHA-UHFFFAOYSA-N |
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| Isomeric SMILES | CCCCCCCCCCCCC(O)=O |
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| Average Molecular Weight | 214.3443 |
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| Monoisotopic Molecular Weight | 214.193280076 |
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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 | 0.033 mg/mL at 20 oC | YALKOWSKY,SH & DANNENFELSER,RM (1992) |
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| Melting Point | 44.5 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 2 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 | 6131AF |
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| AKSci | J92158 |
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| Cayman Chemical | 19725 |
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| Eastman Chemical Company | HMDB0000910 |
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| MetaSci | HMDB0000910 |
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| Toronto Research Chemicals | T774685 |
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