Record Information |
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Version | 1.0 |
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Creation Date | 2016-08-01 08:04:42 UTC |
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Update Date | 2016-08-01 19:18:39 UTC |
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Lmdb | LMDB00907 |
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Secondary Accession Numbers | None |
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Metabolite Identification |
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Common Name | Thiazolidine-4-carboxylic acid |
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Description | Timonacic, also known as DL-thiaproline or hepacom, belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. Based on a literature review a small amount of articles have been published on Timonacic. |
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Structure | |
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Synonyms | Value | Source |
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4-Carboxythiazolidine | ChEBI | 4-Thiazolidinecarboxylic acid | ChEBI | Acide DL thiazolidine carboxylique-4 | ChEBI | Acide thiazolidine-4-carboxylique | ChEBI | DL-Thiaproline | ChEBI | DL-Thiazolidinecarboxylic acid | ChEBI | Thiaproline | ChEBI | Thiazolidine-4-carboxylic acid | ChEBI | Thiazolidinecarboxylic acid | ChEBI | Timonacico | ChEBI | Timonacicum | ChEBI | Hepacom | Kegg | 4-Thiazolidinecarboxylate | Generator | DL-Thiazolidinecarboxylate | Generator | Thiazolidine-4-carboxylate | Generator | Thiazolidinecarboxylate | Generator | Timonacic | ChEBI | Heparegen | MeSH | gamma-Thiaproline | MeSH | Norgamem | MeSH | Thiazolidine-4-carboxylic acid, (R)-isomer | MeSH | Thiazolidine-4-carboxylic acid, sodium salt | MeSH |
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Chemical Formula | C4H7NO2S |
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Average Molecular Weight | 133.17 |
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Monoisotopic Molecular Weight | 133.019749643 |
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IUPAC Name | 1,3-thiazolidine-4-carboxylic acid |
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Traditional Name | L-thioproline |
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CAS Registry Number | Not Available |
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SMILES | OC(=O)C1CSCN1 |
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InChI Identifier | InChI=1S/C4H7NO2S/c6-4(7)3-1-8-2-5-3/h3,5H,1-2H2,(H,6,7) |
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InChI Key | DZLNHFMRPBPULJ-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. |
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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 | Alpha amino acids and derivatives |
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Alternative Parents | |
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Substituents | - Alpha-amino acid or derivatives
- Thiazolidine
- Amino acid
- Carboxylic acid
- Secondary aliphatic amine
- Monocarboxylic acid or derivatives
- Secondary amine
- Thioether
- Hemithioaminal
- Dialkylthioether
- Organoheterocyclic compound
- Azacycle
- Carbonyl group
- Organic oxygen compound
- Organic nitrogen compound
- Amine
- Organonitrogen compound
- Organooxygen compound
- Hydrocarbon derivative
- Organopnictogen compound
- Organic oxide
- Aliphatic heteromonocyclic compound
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Molecular Framework | Aliphatic heteromonocyclic 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 | Spectrum Type | Description | Splash Key | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-002p-9100000000-6c2626645d5d6514ef22 | Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (TBDMS_1_1) - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (TBDMS_1_2) - 70eV, Positive | Not Available | Spectrum | LC-MS/MS | LC-MS/MS Spectrum - 35V, Positive | splash10-0a4r-9000000000-773f7cd3830c2105ba70 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-001i-2900000000-4c7415eb5213815fcf90 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0019-9800000000-4d42ab7305bc5b6c53d4 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-08g0-9000000000-0543dfbddb2254f46d26 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-001i-3900000000-584ea9d5a453dff96c8a | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0zgi-9600000000-89fbcd989a3bde6ecc27 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0f89-9200000000-d8bc6a99fc8c3eaccb40 | Spectrum |
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