| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:21 UTC |
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| Update Date | 2025-03-25 00:55:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213756 |
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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 | CNC(=S)N1CC(O)CC1C(=O)O |
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| InChI Key | OCEQHGZQOHFFRI-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 acidsazacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolidine carboxylic acidssecondary alcoholsthioureas |
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| Substituents | carbonyl groupthioureacarboxylic acidorganosulfur compoundorganic oxidepyrrolidine carboxylic acidaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundproline or derivativesalcoholazacyclemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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