| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:42 UTC |
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| Update Date | 2025-03-25 00:51:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184599 |
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| Frequency | 0.5 |
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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 | NC(CCSC(=O)C1CCCN1)C(=O)O |
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| InChI Key | SYHRJGMJHSVXPO-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 compoundscarbothioic s-esterscarboxylic acidsdialkylaminesheterocyclic fatty acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrrolidine carboxylic acids and derivativessulfenyl compoundsthia fatty acidsthioestersthiolactones |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acidheterocyclic fatty acidfatty acidorganosulfur compoundcarbothioic s-esterorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidinethiolactoneorganoheterocyclic compoundproline or derivativessecondary aliphatic aminethiocarboxylic acid or derivativessulfenyl compoundazacyclethiocarboxylic acid estersecondary aminemonocarboxylic acid or derivativesthia fatty acidpyrrolidine carboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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