| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:54 UTC |
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| Update Date | 2025-03-25 00:51:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185082 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H12N2O3S |
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| Molecular Mass | 204.0569 |
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| SMILES | NC(=O)CSC1CNC(C(=O)O)C1 |
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| InChI Key | JTHUYNVMVSZYGT-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 | proline and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary carboxylic acid amidespyrrolidine carboxylic acidssulfenyl compounds |
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| Substituents | primary carboxylic acid amidecarbonyl groupcarboxylic acidamino acidorganosulfur compoundorganic oxidepyrrolidine carboxylic acidaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundproline or derivativessecondary aliphatic aminesulfenyl compoundazacycledialkylthioethersecondary aminecarboxamide groupmonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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