| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:44 UTC |
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| Update Date | 2025-03-21 18:36:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00109720 |
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| Frequency | 24.4 |
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| Structure | |
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| Chemical Formula | C8H13NO2S |
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| Molecular Mass | 187.0667 |
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| SMILES | NC(CC1C=CCCS1)C(=O)O |
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| InChI Key | NBCIMGVEOMKWTB-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 | carbonyl compoundscarboxylic acidsdialkylthioethersfatty acylshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsthia fatty acidsthiopyrans |
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| Substituents | fatty acylcarbonyl groupcarboxylic aciddialkylthioetherthiopyranorganic oxidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetheraliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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