| Record Information |
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| Version | 1.0 |
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| Creation date | 2011-09-21 01:51:53 UTC |
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| Update date | 2019-11-26 03:21:30 UTC |
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| Primary ID | FDB029209 |
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| Secondary Accession Numbers | Not Available |
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| Chemical Information |
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| FooDB Name | Dehydrospermidine |
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| Description | Dehydrospermidine is the reduction form of spermidine
Spermidine is a polyamine involved in cellular metabolism that can be used to stimulate the enzyme, T7 RNA polymerase, a type of RNA polymerase. Spermidine has also been found to reduce the amount of ageing in yeast, flies, worms and human immune cells by inducing autophagy [HMDB]. Dehydrospermidine is found in many foods, some of which are japanese walnut, lentils, persimmon, and triticale. |
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| CAS Number | Not Available |
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| Structure | |
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| Synonyms | |
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| Predicted Properties | |
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| Chemical Formula | C7H17N3 |
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| IUPAC name | (E)-(4-aminobutylidene)(3-aminopropyl)amine |
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| InChI Identifier | InChI=1S/C7H17N3/c8-4-1-2-6-10-7-3-5-9/h6H,1-5,7-9H2/b10-6+ |
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| InChI Key | YAVLYBVKPXLZEQ-UXBLZVDNSA-N |
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| Isomeric SMILES | NCCC\C=N\CCCN |
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| Average Molecular Weight | 143.23 |
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| Monoisotopic Molecular Weight | 143.142247559 |
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| Classification |
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| Description | Belongs to the class of organic compounds known as shiff bases. These are aldimines where the nitrogen atom of the aldimine group is linked to an alkyl or aryl group. |
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| Kingdom | Organic compounds |
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| Super Class | Organic nitrogen compounds |
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| Class | Organonitrogen compounds |
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| Sub Class | Imines |
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| Direct Parent | Shiff bases |
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| Alternative Parents | |
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| Substituents | - Shiff base
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Organopnictogen compound
- Hydrocarbon derivative
- Primary amine
- Primary aliphatic amine
- Amine
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | |
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| Ontology |
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| Disposition | Route of exposure: Source: |
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| Physico-Chemical Properties |
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| Physico-Chemical Properties - Experimental | |
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| Spectra |
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| Spectra | |
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| EI-MS/GC-MS | | Type | Description | Splash Key | View |
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| Predicted GC-MS | Dehydrospermidine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-053r-9100000000-505f9c80a679bd16f771 | Spectrum | | Predicted GC-MS | Dehydrospermidine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | | Predicted GC-MS | Dehydrospermidine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | | Predicted GC-MS | Dehydrospermidine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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| MS/MS | | Type | Description | Splash Key | View |
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| Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-004l-0900000000-9f8f47dc007df4c19e6e | 2017-09-01 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-00fr-9600000000-06367d77cdd01b7c6c83 | 2017-09-01 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0abc-9000000000-93ad060b8498d67215a2 | 2017-09-01 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0006-1900000000-51b89d56d7db38415184 | 2017-09-01 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-000f-6900000000-9258a0b2252bc240ac7f | 2017-09-01 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-00ku-9000000000-a9368da01374c59e3675 | 2017-09-01 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-004l-4900000000-cfcc77aa5e39a02b71da | 2021-09-22 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-06z9-9400000000-b2a87f751e79fa08908c | 2021-09-22 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-05fr-9100000000-fc7c4dba4cc98484fc49 | 2021-09-22 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0006-0900000000-60b227258cd5adcb4e9a | 2021-09-23 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0006-2900000000-143a555702b61d75b79c | 2021-09-23 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9000000000-6b1d4b9eefe191bc7cd2 | 2021-09-23 | View Spectrum |
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| NMR | Not Available |
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| External Links |
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| ChemSpider ID | 21865491 |
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| ChEMBL ID | Not Available |
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| KEGG Compound ID | C15853 |
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| Pubchem Compound ID | 23657850 |
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| Pubchem Substance ID | Not Available |
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| ChEBI ID | 48007 |
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| Phenol-Explorer ID | Not Available |
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| DrugBank ID | Not Available |
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| HMDB ID | HMDB60275 |
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| CRC / DFC (Dictionary of Food Compounds) ID | Not Available |
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| EAFUS ID | Not Available |
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| Dr. Duke ID | Not Available |
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| BIGG ID | Not Available |
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| KNApSAcK ID | Not Available |
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| HET ID | Not Available |
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| Food Biomarker Ontology | Not Available |
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| VMH ID | Not Available |
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| Flavornet ID | Not Available |
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| GoodScent ID | Not Available |
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| SuperScent ID | Not Available |
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| Wikipedia ID | Not Available |
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| Phenol-Explorer Metabolite ID | Not Available |
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| Duplicate IDS | Not Available |
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| Old DFC IDS | Not Available |
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| Associated Foods |
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| Biological Effects and Interactions |
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| Health Effects / Bioactivities | Not Available |
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| Enzymes | Not Available |
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| Pathways | Not Available |
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| Metabolism | Not Available |
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| Biosynthesis | Not Available |
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| Organoleptic Properties |
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| Flavours | Not Available |
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| Files |
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| MSDS | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| General Reference | Not Available |
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| Content Reference | |
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