| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:15 UTC |
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| Update Date | 2025-03-21 18:28:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00072320 |
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| Frequency | 41.3 |
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| Structure | |
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| Chemical Formula | C9H16N2O3S |
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| Molecular Mass | 232.0882 |
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| SMILES | CSCC(NC(=O)C1CCCN1)C(=O)O |
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| InChI Key | YKMLYFNTSNYGMK-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 | dipeptides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylaminesdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsproline and derivativespyrrolidinecarboxamidessecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidalpha-amino acid or derivativesorganosulfur compoundorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesproline or derivativessecondary aliphatic aminealpha-amino acid amidesulfenyl compoundazacyclen-acyl-alpha-amino aciddialkylthioethersecondary aminecarboxamide groupalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativeshydrocarbon derivativeorganic nitrogen compoundpyrrolidine-2-carboxamideorganooxygen compoundamine |
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