| Record Information |
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| Version | 1.0 |
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| Creation Date | 2020-03-03 19:39:29 UTC |
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| Update Date | 2020-04-22 15:56:57 UTC |
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| BMDB ID | BMDB0064078 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Threonylisoleucine |
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| Description | Threonylisoleucine, also known as T-I or L-THR-L-ile, 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 Threonylisoleucine. |
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| Structure | |
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| Synonyms | | Value | Source |
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| (2S,3S)-2-{[(2S,3R)-2-amino-3-hydroxybutanoyl]amino}-3-methylpentanoic acid | ChEBI | | T-I | ChEBI | | T-I dipeptide | ChEBI | | Threonine isoleucine dipeptide | ChEBI | | TI | ChEBI | | TI dipeptide | ChEBI | | (2S,3S)-2-{[(2S,3R)-2-amino-3-hydroxybutanoyl]amino}-3-methylpentanoate | Generator | | L-THR-L-Ile | HMDB | | L-Threoninyl-L-isoleucine | HMDB | | L-Threonyl-L-isoleucine | HMDB | | N-L-Threoninyl-L-isoleucine | HMDB | | N-L-Threonyl-L-isoleucine | HMDB | | N-Threoninylisoleucine | HMDB | | N-Threonylisoleucine | HMDB | | THR-Ile | HMDB | | Threonine-isoleucine dipeptide | HMDB | | Threoninyl-isoleucine | HMDB | | Threoninylisoleucine | HMDB | | Threonyl-isoleucine | HMDB | | Threonylisoleucine | HMDB |
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| Chemical Formula | C10H20N2O4 |
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| Average Molecular Weight | 232.28 |
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| Monoisotopic Molecular Weight | 232.142307132 |
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| IUPAC Name | (2S,3S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-methylpentanoic acid |
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| Traditional Name | (2S,3S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-methylpentanoic acid |
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| CAS Registry Number | Not Available |
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| SMILES | CC[C@H](C)[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(O)=O |
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| InChI Identifier | InChI=1S/C10H20N2O4/c1-4-5(2)8(10(15)16)12-9(14)7(11)6(3)13/h5-8,13H,4,11H2,1-3H3,(H,12,14)(H,15,16)/t5-,6+,7-,8-/m0/s1 |
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| InChI Key | LUMXICQAOKVQOB-YWIQKCBGSA-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
- Isoleucine or derivatives
- N-acyl-l-alpha-amino acid
- N-acyl-alpha-amino acid
- N-acyl-alpha amino acid or derivatives
- Alpha-amino acid amide
- Alpha-amino acid or derivatives
- Branched fatty acid
- Hydroxy fatty acid
- Methyl-branched fatty acid
- Fatty amide
- N-acyl-amine
- Fatty acyl
- Fatty acid
- Amino acid or derivatives
- Carboxamide group
- Amino acid
- Secondary carboxylic acid amide
- Secondary alcohol
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Hydrocarbon derivative
- Primary aliphatic amine
- Organic nitrogen compound
- Organic oxide
- Carbonyl group
- Organopnictogen compound
- Alcohol
- Organic oxygen compound
- Amine
- Organonitrogen compound
- Organooxygen compound
- Primary amine
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | Not Available |
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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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