| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:39 UTC |
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| Update Date | 2025-03-21 18:02:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00040044 |
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| Frequency | 86.5 |
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| Structure | |
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| Chemical Formula | C7H12N2O5S |
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| Molecular Mass | 236.0467 |
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| SMILES | O=C(O)CNC(=O)C(CS)NCC(=O)O |
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| InChI Key | ZLWODLPZCOSURE-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 | alkylthiolsalpha 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 derivativeshydrocarbon derivativeorganic nitrogen compoundalkylthiolorganooxygen compoundamine |
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