| Record Information |
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| Version | 1.0 |
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| Creation Date | 2018-07-17 17:25:24 UTC |
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| Update Date | 2020-05-11 20:42:57 UTC |
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| BMDB ID | BMDB0062280 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | N-Acetylhistidine |
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| Description | N-Acetylhistidine belongs to the class of organic compounds known as histidine and derivatives. Histidine and derivatives are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. N-Acetylhistidine exists as a solid, possibly soluble (in water), and a very strong basic compound (based on its pKa) molecule. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 2-Acetamido-3-(1H-imidazol-5-yl)propanoic acid | ChEBI | | 2-Acetamido-3-(1H-imidazol-5-yl)propanoate | Generator | | N-Acetyl-L-histidine | HMDB | | 2-[(1-Hydroxyethylidene)amino]-3-(1H-imidazol-5-yl)propanoate | Generator |
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| Chemical Formula | C8H11N3O3 |
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| Average Molecular Weight | 197.1912 |
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| Monoisotopic Molecular Weight | 197.080041233 |
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| IUPAC Name | 2-[(1-hydroxyethylidene)amino]-3-(1H-imidazol-5-yl)propanoic acid |
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| Traditional Name | 2-[(1-hydroxyethylidene)amino]-3-(3H-imidazol-4-yl)propanoic acid |
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| CAS Registry Number | 2497-02-1 |
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| SMILES | CC(O)=NC(CC1=CN=CN1)C(O)=O |
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| InChI Identifier | InChI=1S/C8H11N3O3/c1-5(12)11-7(8(13)14)2-6-3-9-4-10-6/h3-4,7H,2H2,1H3,(H,9,10)(H,11,12)(H,13,14) |
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| InChI Key | KBOJOGQFRVVWBH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as histidine and derivatives. Histidine and derivatives are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
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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 | Amino acids, peptides, and analogues |
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| Direct Parent | Histidine and derivatives |
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| Alternative Parents | |
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| Substituents | - Histidine or derivatives
- N-acyl-alpha-amino acid
- N-acyl-alpha amino acid or derivatives
- Imidazolyl carboxylic acid derivative
- Azole
- Imidazole
- Acetamide
- Heteroaromatic compound
- Secondary carboxylic acid amide
- Carboxamide group
- Organoheterocyclic compound
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Azacycle
- Carbonyl group
- Organooxygen compound
- Organonitrogen compound
- Organopnictogen compound
- Organic oxygen compound
- Organic nitrogen compound
- Hydrocarbon derivative
- Organic oxide
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic compounds |
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| External Descriptors | |
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| Ontology |
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| Status | Detected but not Quantified |
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| Origin | |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | |
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| Physical Properties |
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| State | Not Available |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | |
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