| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:52 UTC |
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| Update Date | 2025-03-25 00:55:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02212636 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H17NO2S |
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| Molecular Mass | 227.098 |
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| SMILES | CCCCCC=C1C=C(C(=O)O)NCS1 |
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| InChI Key | SUKHSWJJGFSDFE-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 | 1,3-thiazinesamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsthioenol ethersthiohemiaminal derivatives |
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| Substituents | carbonyl groupcarboxylic acidamino acidorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundmeta-thiazineorganoheterocyclic compoundsecondary aliphatic amineazacyclesecondary aminemonocarboxylic acid or derivativesthioenoletherorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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