| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:46 UTC |
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| Update Date | 2025-03-21 18:38:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00121797 |
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| Frequency | 21.3 |
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| Structure | |
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| Chemical Formula | C10H17N3O6S |
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| Molecular Mass | 307.0838 |
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| SMILES | NC(CCC(=O)C(=O)O)NC(CS)C(=O)NCC(=O)O |
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| InChI Key | SMWQKLOFJPTPAX-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 acidsalpha-hydroxy ketonesalpha-keto acids and derivativesaminalsamino acidscarboxylic acidscysteine and derivativesdialkylaminesdicarboxylic acids and derivativesdipeptideshydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundsorganosulfur compoundssecondary carboxylic acid amidesshort-chain keto acids and derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidshort-chain keto acidaminalorganosulfur compoundalpha-hydroxy ketonealpha peptideketoneorganic oxideorganonitrogen compoundalpha-keto acidalpha-amino acidorganopnictogen compoundsecondary aliphatic aminealpha-amino acid amidesecondary aminecarboxamide groupn-acylglycinealpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundketo acidcysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundalkylthiolorganooxygen compoundamine |
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