| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:45 UTC |
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| Update Date | 2025-03-21 18:40:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00128847 |
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| Frequency | 19.8 |
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| Structure | |
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| Chemical Formula | C7H17N3OS |
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| Molecular Mass | 191.1092 |
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| SMILES | NCCCCNC(=O)C(N)CS |
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| InChI Key | AQFSFKHQYJYACH-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 | alpha amino acid amides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkylthiolsalpha amino acidscarbonyl compoundscarboxylic acids and derivativescysteine and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundssecondary carboxylic acid amides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupalpha-amino acid amideorganosulfur compoundcarboxamide groupsecondary carboxylic acid amideorganic oxideorganic oxygen compoundcysteine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundalkylthiolorganooxygen compound |
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