| Record Information |
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| Version | 1.0 |
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| Creation Date | 2018-07-17 17:50:51 UTC |
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| Update Date | 2020-03-13 17:36:57 UTC |
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| BMDB ID | BMDB0062573 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Pretyrosine |
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| Description | Pretyrosine, also known as L-arogenate or L-arogenic acid, belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. Pretyrosine is possibly soluble (in water) and a very strong basic compound (based on its pKa). |
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| Structure | |
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| Synonyms | | Value | Source |
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| alpha-Amino-1-carboxy-4-hydroxy-2,5-cyclohexadiene-1-propanoic acid | ChEBI | | L-Arogenate | ChEBI | | L-Arogenic acid | Kegg | | a-Amino-1-carboxy-4-hydroxy-2,5-cyclohexadiene-1-propanoate | Generator | | a-Amino-1-carboxy-4-hydroxy-2,5-cyclohexadiene-1-propanoic acid | Generator | | alpha-Amino-1-carboxy-4-hydroxy-2,5-cyclohexadiene-1-propanoate | Generator | | Α-amino-1-carboxy-4-hydroxy-2,5-cyclohexadiene-1-propanoate | Generator | | Α-amino-1-carboxy-4-hydroxy-2,5-cyclohexadiene-1-propanoic acid | Generator | | Arogenate | HMDB | | Pretyrosine | ChEBI |
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| Chemical Formula | C10H13NO5 |
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| Average Molecular Weight | 227.216 |
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| Monoisotopic Molecular Weight | 227.079372523 |
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| IUPAC Name | 1-[(2S)-2-amino-2-carboxyethyl]-4-hydroxycyclohexa-2,5-diene-1-carboxylic acid |
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| Traditional Name | arogenate |
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| CAS Registry Number | 53078-86-7 |
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| SMILES | [H][C@](N)(CC1(C=CC([H])(O)C=C1)C(O)=O)C(O)=O |
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| InChI Identifier | InChI=1S/C10H13NO5/c11-7(8(13)14)5-10(9(15)16)3-1-6(12)2-4-10/h1-4,6-7,12H,5,11H2,(H,13,14)(H,15,16)/t6?,7-,10?/m0/s1 |
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| InChI Key | MIEILDYWGANZNH-DSQUFTABSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. |
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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 | L-alpha-amino acids |
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| Alternative Parents | |
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| Substituents | - L-alpha-amino acid
- Dicarboxylic acid or derivatives
- Secondary alcohol
- Amino acid
- Carboxylic acid
- Hydrocarbon derivative
- Organopnictogen compound
- Organic oxygen compound
- Primary amine
- Organooxygen compound
- Organonitrogen compound
- Primary aliphatic amine
- Organic nitrogen compound
- Alcohol
- Carbonyl group
- Amine
- Organic oxide
- Aliphatic homomonocyclic compound
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| Molecular Framework | Aliphatic homomonocyclic 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 | Not Available |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | Not Available |
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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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| General References | - Pan L, Yu J, Mi Z, Mo L, Jin H, Yao C, Ren D, Menghe B: A Metabolomics Approach Uncovers Differences between Traditional and Commercial Dairy Products in Buryatia (Russian Federation). Molecules. 2018 Mar 22;23(4). pii: molecules23040735. doi: 10.3390/molecules23040735. [PubMed:29565828 ]
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