| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:30 UTC |
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| Update Date | 2025-03-25 00:49:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175029 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H15NO2S |
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| Molecular Mass | 201.0824 |
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| SMILES | CCCCCC1=NC(C(=O)O)SC1 |
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| InChI Key | YQHHECSBVIQKCA-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 heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesketiminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsthiazolecarboxylic acids and derivativesthiazolines |
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| Substituents | ketiminecarbonyl groupcarboxylic acidmeta-thiazolineiminethiazolecarboxylic acid or derivativespropargyl-type 1,3-dipolar organic compoundorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacycledialkylthioetherorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundthiazoleorganooxygen compound |
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