| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:12 UTC |
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| Update Date | 2025-03-25 00:54:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206261 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H17N3O5S |
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| Molecular Mass | 291.0889 |
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| SMILES | NC(CSC1CNC(C(=O)O)C1)C(=O)NCC(=O)O |
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| InChI Key | BYKWJUNYZZBZLS-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 heteromonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylaminesdialkylthioethersdicarboxylic acids and derivativesdipeptideshydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundsproline and derivativespyrrolidine carboxylic acidssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidamino acidorganosulfur compoundalpha peptideorganic oxidepyrrolidine carboxylic acidaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundproline or derivativessecondary aliphatic aminesulfenyl compoundalpha-amino acid amideazacycledialkylthioethersecondary aminecarboxamide groupn-acylglycinealpha-dipeptidesecondary carboxylic acid amidepyrrolidine carboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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