| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:20 UTC |
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| Update Date | 2025-03-25 00:52:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02192867 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H17NO2S |
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| Molecular Mass | 191.098 |
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| SMILES | CCCCC(NCSC)C(=O)O |
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| InChI Key | HNVSJWNJDPJTGV-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 acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | amino acidscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethershydrocarbon derivativesmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssulfenyl compoundsthiohemiaminal derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidfatty acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundmedium-chain fatty acidsecondary aliphatic aminesulfenyl compounddialkylthioethersecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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