| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:21 UTC |
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| Update Date | 2025-03-21 18:34:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00098919 |
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| Frequency | 27.8 |
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| Structure | |
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| Chemical Formula | C8H14N2O5S |
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| Molecular Mass | 250.0623 |
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| SMILES | CC(NC(CS)C(=O)NCC(=O)O)C(=O)O |
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| InChI Key | UNIIFJOVJXEFGM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | acyl glycines |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alanine and derivativesalkylthiolsalpha amino acid amidesalpha amino acidsamino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylaminesdicarboxylic acids and derivativesdipeptideshydrocarbon derivativesorganic oxidesorganopnictogen compoundsorganosulfur compoundssecondary carboxylic acid amides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidorganosulfur compoundalpha peptideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic aminealpha-amino acid amidesecondary aminecarboxamide groupn-acylglycinealpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundcysteine or derivativesdicarboxylic acid or derivativesalanine or derivativeshydrocarbon derivativeorganic nitrogen compoundalkylthiolorganooxygen compoundamine |
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