| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:31:56 UTC |
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| Update date | 2017-01-19 02:36:32 UTC |
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| FoodComEx ID | PC000682 |
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| FoodDB Record | FDB022474 |
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| Chemical Information |
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| Name | N1-Acetylspermine |
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| Description | N1-Acetylspermine is a polyamine that has been postulated to be an intermediate in the conversion of spermine to spermidine [HMDB]. N1-Acetylspermine is found in many foods, some of which are chinese cinnamon, purple laver, common sage, and mexican oregano. |
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| CAS Number | 25593-72-0 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| N-(3-((4-((3-aminopropyl)amino)butyl)amino)propyl)-Acetamide | hmdb | | N-Acetylspermine | hmdb | | N'-Acetylspermine | hmdb | | N'-Monoacetylspermine | hmdb | | N(1)-Acetylspermine | hmdb | | N1-Acetylspermine | hmdb |
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| Chemical Formula | C12H28N4O |
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| IUPAC name | N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]acetamide |
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| InChI Identifier | InChI=1S/C12H28N4O/c1-12(17)16-11-5-10-15-8-3-2-7-14-9-4-6-13/h14-15H,2-11,13H2,1H3,(H,16,17) |
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| InChI Key | GUNURVWAJRRUAV-UHFFFAOYSA-N |
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| Isomeric SMILES | CC(=O)NCCCNCCCCNCCCN |
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| Average Molecular Weight | 244.3769 |
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| Monoisotopic Molecular Weight | 244.226311538 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as acetamides. These are organic compounds with the general formula RNHC(=O)CH3, where R= organyl group. |
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| Kingdom | Organic compounds |
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| Super Class | Organic acids and derivatives |
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| Class | Carboxylic acids and derivatives |
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| Sub Class | Carboxylic acid derivatives |
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| Direct Parent | Acetamides |
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| Alternative Parents | |
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| Substituents | - Acetamide
- Amino acid or derivatives
- Secondary carboxylic acid amide
- Secondary aliphatic amine
- Secondary amine
- Amine
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Primary amine
- Organooxygen compound
- Organonitrogen compound
- Primary aliphatic amine
- Organic oxygen compound
- Carbonyl group
- Organic nitrogen compound
- 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 | Production upon request, up to 10 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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| Not Available |
