| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:02 UTC |
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| Update Date | 2025-03-21 18:06:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00064606 |
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| Frequency | 47.6 |
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| Structure | |
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| Chemical Formula | C6H9NO4S |
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| Molecular Mass | 191.0252 |
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| SMILES | O=C=C(NCC(=O)O)C(O)CS |
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| InChI Key | NNQGYHSKDIEOJL-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 | alkylthiolsamino acidscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsorganosulfur compoundssecondary alcoholsynolates |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalcoholsecondary aliphatic aminesecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundynolatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundalkylthiolorganooxygen compoundamine |
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