Record Information |
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Version | 1.0 |
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Creation date | 2018-05-02 11:52:22 UTC |
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Update date | 2018-05-04 14:26:20 UTC |
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FoodComEx ID | PC001164 |
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FoodDB Record | FDB021798 |
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Chemical Information |
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Name | 3-Methyl-L-histidine |
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Description | 3-Methylhistidine is a product of peptide bond synthesis and methylation of actin and myosin. The measurement of 3-Methylhistidine provides an index of the rate of muscle protein breakdown. [HMDB]. 3-Methylhistidine is a biomarker for meat consumption, especially chicken. It is also a biomarker for the consumption of soy products. |
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CAS Number | 368-16-1 |
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Structure | |
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Synonyms | Synonym | Source |
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(2S)-2-amino-3-(1-Methyl-1H-imidazol-5-yl)propanoate | Generator | (2S)-2-amino-3-(1-Methyl-1H-imidazol-5-yl)propanoic acid | ChEBI | 3-Methylhistidine | ChEBI | 3-N-Methyl-L-histidine | HMDB | L-3-Methylhistidine | HMDB | N-pros-Methyl-L-histidine | ChEBI | N(Pai)-methyl-L-histidine | ChEBI | N(pros)-Methyl-L-histidine | HMDB | N3-Methyl-L-histidine | HMDB | Pi-methyl-L-histidine | HMDB | Tau-methyl-L-histidine | HMDB | Tau-methylhistidine | HMDB |
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Chemical Formula | C7H11N3O2 |
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IUPAC name | 2-amino-3-(1-methyl-1H-imidazol-5-yl)propanoic acid |
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InChI Identifier | InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12) |
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InChI Key | JDHILDINMRGULE-UHFFFAOYSA-N |
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Isomeric SMILES | CN1C=NC=C1CC(N)C(O)=O |
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Average Molecular Weight | 169.1811 |
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Monoisotopic Molecular Weight | 169.085126611 |
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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
- Alpha-amino acid
- Imidazolyl carboxylic acid derivative
- Aralkylamine
- N-substituted imidazole
- Azole
- Imidazole
- Heteroaromatic compound
- Amino acid
- Carboxylic acid
- Azacycle
- Organoheterocyclic compound
- Monocarboxylic acid or derivatives
- Organic nitrogen compound
- Organonitrogen compound
- Organooxygen compound
- Primary amine
- Primary aliphatic amine
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Carbonyl group
- Organic oxygen compound
- Amine
- 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 | 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 | 1 to 2 mg |
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Delivery Time | 2 weeks |
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Storage Form | powder |
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Storage Conditions | 4°C |
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Stability | Not Available |
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Purity | unknown |
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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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Contact Name | Contact Institution | Contact Email |
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Augustin Scalbert | International Agency for Research on Cancer (IARC), Biomarkers Group, 150 cours Albert Thomas, Lyon, FR, 69372 | scalberta@iarc.fr |
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Commercial Vendors |
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MetaSci | HMDB0000479 |
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Sigma-Aldrich | HMDB0000479 |
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Toronto Research Chemicals | M312005 |
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