| Record Information |
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| Version | 1.0 |
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| Creation date | 2018-05-02 12:05:35 UTC |
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| Update date | 2018-05-04 14:25:30 UTC |
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| FoodComEx ID | PC001177 |
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| FoodDB Record | Not Available |
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| Chemical Information |
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| Name | Behenic acid |
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| Description | Behenic acid (also docosanoic acid) is a normal carboxylic acid, the saturated fatty acid with formula C21H43COOH. In appearance, it consists of white to cream color crystals or powder with a melting point of 80°C and boiling point of 306°C. Behenic acid is found in many foods, some of which are macadamia nut, opium poppy, tamarind, and black elderberry. |
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| CAS Number | 112-85-6 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 1-Docosanoate | Generator | | 1-Docosanoic acid | ChEBI | | b 95 | HMDB | | Behenate | Generator | | Behensaeure | ChEBI | | CH3-[CH2]20-COOH | ChEBI | | Docosanate | Generator | | Docosanic acid | ChEBI | | Docosanoate | ChEBI | | Docosansaeure | ChEBI | | Docosoate | Generator | | Docosoic acid | ChEBI | | Dokosansaeure | ChEBI | | Edenor C 22-85R | HMDB | | EXL 5 | HMDB | | Glycon b 70 | HMDB | | Hydrofol 2022-55 | HMDB | | Hydrofol acid 560 | HMDB | | N-Docosanoate | Generator | | N-Docosanoic acid | ChEBI | | Prifac 2987 | HMDB |
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| Chemical Formula | Not Available |
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| IUPAC name | Not Available |
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| InChI Identifier | InChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24) |
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| InChI Key | UKMSUNONTOPOIO-UHFFFAOYSA-N |
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| Isomeric SMILES | CCCCCCCCCCCCCCCCCCCCCC(O)=O |
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| Average Molecular Weight | 340.5836 |
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| Monoisotopic Molecular Weight | 340.334130652 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as very long-chain fatty acids. These are fatty acids with an aliphatic tail that contains at least 22 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 | Very long-chain fatty acids |
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| Alternative Parents | |
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| Substituents | - Very 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 | Not Available | |
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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 | 1 to 2 mg |
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| Delivery Time | 2 weeks |
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| Storage Form | powder |
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| Storage Conditions | -18°C |
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| Stability | Not Available |
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| Purity | unknown |
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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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| Contact Name | Contact Institution | Contact Email |
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| Augustin Scalbert | International Agency for Research on Cancer (IARC), Biomarkers Group, 150 cours Albert Thomas, Lyon, FR, 69372 | scalberta@iarc.fr |
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| Commercial Vendors |
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| AKSci | M008 |
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| Cayman Chemical | 9000338 |
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| Cayman Chemical | HMDB0000944 |
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| MetaSci | HMDB0000944 |
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| Toronto Research Chemicals | B119580 |
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