| Record Information |
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| Version | 1.0 |
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| Creation Date | 2020-03-03 19:39:01 UTC |
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| Update Date | 2020-04-22 15:56:54 UTC |
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| BMDB ID | BMDB0064070 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Threonylasparagine |
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| Description | Threonylasparagine, also known as T-N or H-THR-asn-OH, 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 a small amount of articles have been published on Threonylasparagine. |
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| Structure | |
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| Synonyms | | Value | Source |
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| (2S)-4-Amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-oxobutanoic acid | ChEBI | | H-THR-Asn-OH | ChEBI | | L-THR-L-Asn | ChEBI | | T-N | ChEBI | | T-N Dipeptide | ChEBI | | TN | ChEBI | | TN Dipeptide | ChEBI | | (2S)-4-Amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-oxobutanoate | Generator | | L-Threoninyl-L-asparagine | HMDB | | L-Threonyl-L-asparagine | HMDB | | N-L-Threoninyl-L-asparagine | HMDB | | N-L-Threonyl-L-asparagine | HMDB | | N-Threoninylasparagine | HMDB | | N-Threonylasparagine | HMDB | | THR-Asn | HMDB | | Threonine asparagine dipeptide | HMDB | | Threonine-asparagine dipeptide | HMDB | | Threoninyl-asparagine | HMDB | | Threoninylasparagine | HMDB | | Threonyl-asparagine | HMDB | | Threonylasparagine | HMDB |
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| Chemical Formula | C8H15N3O5 |
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| Average Molecular Weight | 233.224 |
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| Monoisotopic Molecular Weight | 233.101170595 |
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| IUPAC Name | (2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-carbamoylpropanoic acid |
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| Traditional Name | (2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-carbamoylpropanoic 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](CC(N)=O)C(O)=O |
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| InChI Identifier | InChI=1S/C8H15N3O5/c1-3(12)6(10)7(14)11-4(8(15)16)2-5(9)13/h3-4,6,12H,2,10H2,1H3,(H2,9,13)(H,11,14)(H,15,16)/t3-,4+,6+/m1/s1 |
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| InChI Key | UQTNIFUCMBFWEJ-IWGUZYHVSA-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
- Asparagine or derivatives
- N-acyl-alpha-amino acid
- N-acyl-alpha amino acid or derivatives
- N-acyl-l-alpha-amino acid
- Alpha-amino acid amide
- Alpha-amino acid or derivatives
- N-acyl-amine
- Fatty amide
- Fatty acid
- Fatty acyl
- Secondary carboxylic acid amide
- Secondary alcohol
- Primary carboxylic acid amide
- Carboxamide group
- Amino acid or derivatives
- Amino acid
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Alcohol
- Organonitrogen compound
- Organooxygen compound
- Primary aliphatic amine
- Primary amine
- Hydrocarbon derivative
- Organic oxide
- Carbonyl group
- Organopnictogen compound
- Amine
- Organic oxygen compound
- Organic nitrogen compound
- 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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