| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:32:02 UTC |
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| Update date | 2017-01-19 02:36:33 UTC |
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| FoodComEx ID | PC000700 |
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| FoodDB Record | FDB002742 |
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| Chemical Information |
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| Name | Heneicosanoic acid |
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| Description | Isolated from olive oil (Olea europaea)
Heneicosanoic acid (HEA) is a fatty acid found in human milk fat (PMID: 16332663, 16512938); HEA is also a part of the phospholipids of the articular cartilage boundary lubricant (PMID: 11518278); HEA is a constituent of red blood cell fatty acids. (PMID: 9972864). |
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| CAS Number | 2363-71-5 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 21:0 | ChEBI | | C21:0 | ChEBI | | Heneicosanate | biospider | | Heneicosanic acid | biospider | | Heneicosanoate | biospider | | Heneicosansaeure | ChEBI | | Heneicosylate | Generator | | Heneicosylic acid | ChEBI | | Henicosanoate | biospider | | Henicosanoic acid | biospider | | N-heneicosanoate | biospider | | N-heneicosanoic acid | biospider | | N-Heneicosylate | Generator | | N-Heneicosylic acid | ChEBI | | N-Henicosanoate | Generator | | N-Henicosanoic acid | ChEBI |
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| Chemical Formula | C21H42O2 |
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| IUPAC name | henicosanoic acid |
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| InChI Identifier | InChI=1S/C21H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h2-20H2,1H3,(H,22,23) |
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| InChI Key | CKDDRHZIAZRDBW-UHFFFAOYSA-N |
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| Isomeric SMILES | CCCCCCCCCCCCCCCCCCCCC(O)=O |
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| Average Molecular Weight | 326.557 |
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| Monoisotopic Molecular Weight | 326.318480588 |
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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 | Mp 73-74° | DFC |
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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 500 mg |
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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 | 6626AF |
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| Cayman Chemical | 22593 |
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| Fluka | HMDB0002345 |
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| MetaSci | HMDB0002345 |
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| Toronto Research Chemicals | H245760 |
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