| Record Information |
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| Version | 1.0 |
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| Creation date | 2010-04-08 22:10:15 UTC |
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| Update date | 2019-11-26 03:07:10 UTC |
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| Primary ID | FDB012596 |
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| Secondary Accession Numbers | Not Available |
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| Chemical Information |
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| FooDB Name | Histamine |
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| Description | An amine derived by enzymatic decarboxylation of histidine. It is a powerful stimulant of gastric secretion, a constrictor of bronchial smooth muscle, a vasodilator, and also a centrally acting neurotransmitter.; Histamine is a biogenic amine involved in local immune responses as well as regulating physiological function in the gut and acting as a neurotransmitter. Histamine triggers the inflammatory response. As part of an immune response to foreign pathogens, histamine is produced by basophils and by mast cells found in nearby connective tissues. Histamine increases the permeability of the capillaries to white blood cells and other proteins, in order to allow them to engage foreign invaders in the affected tissues. It is found in virtually all animal body cells.[citation needed]; Histamine is derived from the decarboxylation of the amino acid histidine, a reaction catalyzed by the enzyme L-histidine decarboxylase. It is a hydrophilic vasoactive amine. |
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| CAS Number | 51-45-6 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| Not Available | Not Available |
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| Predicted Properties | |
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| Chemical Formula | C10H18N6 |
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| IUPAC name | bis(2-(1H-imidazol-5-yl)ethan-1-amine) |
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| InChI Identifier | InChI=1S/2C5H9N3/c2*6-2-1-5-3-7-4-8-5/h2*3-4H,1-2,6H2,(H,7,8) |
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| InChI Key | CLIIFKDZHSLNHY-UHFFFAOYSA-N |
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| Isomeric SMILES | NCCC1=CN=CN1.NCCC1=CNC=N1 |
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| Average Molecular Weight | 222.2901 |
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| Monoisotopic Molecular Weight | 222.159294606 |
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| Classification |
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| Description | Belongs to the class of organic compounds known as 2-arylethylamines. These are primary amines that have the general formula RCCNH2, where R is an organic 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 | Amines |
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| Direct Parent | 2-arylethylamines |
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| Alternative Parents | |
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| Substituents | - 2-arylethylamine
- Aralkylamine
- Heteroaromatic compound
- Imidazole
- Azole
- Azacycle
- Organoheterocyclic compound
- Organopnictogen compound
- Hydrocarbon derivative
- Primary aliphatic amine
- Aromatic heteromonocyclic compound
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| Molecular Framework | Not Available |
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| External Descriptors | Not Available |
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| Ontology |
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| Ontology | No ontology term |
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| Physico-Chemical Properties |
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| Physico-Chemical Properties - Experimental | | Property | Value | Reference |
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| Physical state | Not Available | |
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| Physical Description | Not Available | |
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| Mass Composition | C 54.03%; H 8.16%; N 37.81% | DFC |
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| Melting Point | Mp 86° | DFC |
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| Boiling Point | Bp0.8 167° | DFC |
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| Experimental Water Solubility | Not Available | |
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| Experimental logP | -0.70 | SANGSTER (1993) |
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| Experimental pKa | pKa2 9.7 (25°, 0.1M KCl) | DFC |
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| Isoelectric point | Not Available | |
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| Charge | +1 | |
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| Optical Rotation | Not Available | |
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| Spectroscopic UV Data | Not Available | |
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| Density | Not Available | |
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| Refractive Index | Not Available | |
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| Spectra |
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| Spectra | Not Available |
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| External Links |
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| ChemSpider ID | 753 |
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| ChEMBL ID | CHEMBL90 |
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| KEGG Compound ID | C00388 |
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| Pubchem Compound ID | 774 |
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| Pubchem Substance ID | Not Available |
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| ChEBI ID | Not Available |
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| Phenol-Explorer ID | Not Available |
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| DrugBank ID | Not Available |
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| HMDB ID | HMDB60263 |
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| CRC / DFC (Dictionary of Food Compounds) ID | HJF38-X:HJF38-X |
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| EAFUS ID | Not Available |
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| Dr. Duke ID | HISTAMINE |
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| BIGG ID | 1810403 |
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| KNApSAcK ID | C00001414 |
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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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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Biological Effects and Interactions |
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| Health Effects / Bioactivities | |
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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 | — Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).
— Shinbo, Y., et al. 'KNApSAcK: a comprehensive species-metabolite relationship database.' Plant Metabolomics. Springer Berlin Heidelberg, 2006. 165-181.
— Saxholt, E., et al. 'Danish food composition databank, revision 7.' Department of Nutrition, National Food Institute, Technical University of Denmark (2008).
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