| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 06:39:27 UTC |
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| Update Date | 2025-03-24 17:55:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01009122 |
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| Frequency | 1.4 |
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| Structure | |
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| Chemical Formula | C5H11NOS |
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| Molecular Mass | 133.0561 |
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| SMILES | CNC(C)C(=O)SC |
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| InChI Key | ZVWCAGFSPJVYHF-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 | alanine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarbothioic s-esterscarboxylic acids and derivativesdialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundssulfenyl compoundsthioestersthiolactones |
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| Substituents | aliphatic acyclic compoundsecondary aliphatic aminethiocarboxylic acid or derivativescarbonyl groupsulfenyl compoundthiocarboxylic acid estersecondary amineorganosulfur compoundcarbothioic s-esterorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundalanine or derivativeshydrocarbon derivativeorganic nitrogen compoundthiolactoneorganooxygen compoundamine |
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