| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:09 UTC |
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| Update Date | 2025-03-25 01:01:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02247476 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H14N2O2S |
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| Molecular Mass | 214.0776 |
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| SMILES | C=CCSC(=N)N1CCCC1C(=O)O |
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| InChI Key | RBLZELLFAUEKBV-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 | allyl sulfur compoundsalpha amino acidsazacyclic compoundscarbonyl compoundscarboximidamidescarboxylic acidshydrocarbon derivativesiminesisothioureasmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrrolidine carboxylic acidssulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidimineallyl sulfur compoundorganosulfur compoundorganic oxidepyrrolidine carboxylic acidaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundisothioureaproline or derivativessulfenyl compoundazacyclecarboximidamidemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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