| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:46 UTC |
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| Update Date | 2025-03-25 00:46:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152931 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H13NO2S |
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| Molecular Mass | 175.0667 |
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| SMILES | C=CCNCCSCC(=O)O |
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| InChI Key | FKLSZZZMCKTBJT-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 | amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssulfenyl compounds |
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| Substituents | aliphatic acyclic compoundsecondary aliphatic aminecarbonyl groupcarboxylic acidsulfenyl compoundamino aciddialkylthioethersecondary amineorganosulfur compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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