| Record Information |
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| Version | 1.0 |
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| Creation Date | 2020-03-03 19:39:26 UTC |
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| Update Date | 2020-04-22 15:56:57 UTC |
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| BMDB ID | BMDB0064077 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Threonylhistidine |
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| Description | Threonylhistidine, also known as L-THR-L-his or T-H, belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Based on a literature review very few articles have been published on Threonylhistidine. |
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| Structure | |
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| Synonyms | | Value | Source |
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| L-THR-L-His | ChEBI | | T-H | ChEBI | | TH | ChEBI | | L-Threoninyl-L-histidine | HMDB | | L-Threonyl-L-histidine | HMDB | | N-L-Threoninyl-L-histidine | HMDB | | N-L-Threonyl-L-histidine | HMDB | | N-Threoninylhistidine | HMDB | | N-Threonylhistidine | HMDB | | T-H Dipeptide | HMDB | | TH Dipeptide | HMDB | | THR-His | HMDB | | Threonine histidine dipeptide | HMDB | | Threonine-histidine dipeptide | HMDB | | Threoninyl-histidine | HMDB | | Threoninylhistidine | HMDB | | Threonyl-histidine | HMDB | | Threonylhistidine | HMDB |
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| Chemical Formula | C10H16N4O4 |
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| Average Molecular Weight | 256.262 |
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| Monoisotopic Molecular Weight | 256.117155011 |
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| IUPAC Name | (2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(1H-imidazol-5-yl)propanoic acid |
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| Traditional Name | (2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(3H-imidazol-4-yl)propanoic acid |
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| CAS Registry Number | Not Available |
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| SMILES | C[C@@H](O)[C@H](N)C(=O)N[C@@H](CC1=CN=CN1)C(O)=O |
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| InChI Identifier | InChI=1S/C10H16N4O4/c1-5(15)8(11)9(16)14-7(10(17)18)2-6-3-12-4-13-6/h3-5,7-8,15H,2,11H2,1H3,(H,12,13)(H,14,16)(H,17,18)/t5-,7+,8+/m1/s1 |
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| InChI Key | WXVIGTAUZBUDPZ-DTLFHODZSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. |
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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 | Dipeptides |
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| Alternative Parents | |
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| Substituents | - Alpha-dipeptide
- Histidine or derivatives
- N-acyl-alpha amino acid or derivatives
- N-acyl-alpha-amino acid
- N-acyl-l-alpha-amino acid
- Alpha-amino acid amide
- Alpha-amino acid or derivatives
- Imidazolyl carboxylic acid derivative
- N-acyl-amine
- Fatty acyl
- Fatty amide
- Azole
- Imidazole
- Heteroaromatic compound
- Secondary alcohol
- Carboxamide group
- Secondary carboxylic acid amide
- Amino acid or derivatives
- Amino acid
- Carboxylic acid
- Azacycle
- Organoheterocyclic compound
- Monocarboxylic acid or derivatives
- Primary amine
- Organic oxygen compound
- Organic nitrogen compound
- Alcohol
- Hydrocarbon derivative
- Carbonyl group
- Organic oxide
- Organopnictogen compound
- Primary aliphatic amine
- Amine
- Organooxygen compound
- Organonitrogen compound
- 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 | Expected 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 | 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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