| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:31:30 UTC |
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| Update date | 2017-01-19 02:36:30 UTC |
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| FoodComEx ID | PC000610 |
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| FoodDB Record | FDB012464 |
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| Chemical Information |
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| Name | 1H-Imidazole-4(5)-acetic acid |
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| Description | Isolated from various fungi, e.g. Coprinus atramentarius (common ink cap) and Phallus impudicus (common stinkhorn)
Imidazoleacetic acid is a metabolite product of Histamine metabolism. It is present in normal urine and increased in histidinemic patients. (PMID 6530403). 1H-Imidazole-4(5)-acetic acid is found in many foods, some of which are peanut, pepper (c. frutescens), chives, and spelt. |
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| CAS Number | 645-65-8 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| (1H-Imidazol-4-yl)-acetic acid | biospider | | 1H-Imidazol-4-ylacetic acid | HMDB | | 1H-Imidazole-4-acetate | Generator | | 1H-Imidazole-4-acetic acid | ChEBI | | 1H-Imidazole-4-acetic acid (9CI) | biospider | | 4-Imidazoleacetate | biospider | | 4-Imidazoleacetic acid | biospider | | 4(5)-Imidazoleacetate | biospider | | 4(5)-Imidazoleacetic acid | Generator | | IMAC | HMDB | | Imidazol-4-ylacetate | HMDB | | Imidazol-4-ylacetic acid | HMDB | | Imidazole acetate | biospider | | Imidazole acetic acid | manual | | Imidazole-4-acetate | biospider | | Imidazole-4-acetic acid | Generator | | Imidazole-4-acetic acid (8CI) | biospider | | Imidazoleacetate | Generator | | Imidazoleacetic acid | ChEBI | | Imidazolyl-4-acetic acid | biospider | | IZC | HMDB | | Lopac-I-0375 | HMDB |
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| Chemical Formula | C5H6N2O2 |
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| IUPAC name | 2-(1H-imidazol-5-yl)acetic acid |
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| InChI Identifier | InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9) |
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| InChI Key | PRJKNHOMHKJCEJ-UHFFFAOYSA-N |
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| Isomeric SMILES | OC(=O)CC1=CN=CN1 |
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| Average Molecular Weight | 126.1133 |
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| Monoisotopic Molecular Weight | 126.042927446 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as imidazolyl carboxylic acids and derivatives. These are organic compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an imidazole ring. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Azoles |
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| Sub Class | Imidazoles |
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| Direct Parent | Imidazolyl carboxylic acids and derivatives |
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| Alternative Parents | |
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| Substituents | - Imidazolyl carboxylic acid derivative
- Heteroaromatic compound
- Azacycle
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Carbonyl group
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic 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 222° dec. | 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 200 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 | 7355AE |
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