| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:50 UTC |
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| Update Date | 2025-03-25 00:46:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153094 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13NO4S |
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| Molecular Mass | 231.0565 |
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| SMILES | C=CCSC=CC(NCC(=O)O)C(=O)O |
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| InChI Key | WVUGRPIXEMKBHG-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 | allyl sulfur compoundsamino acidscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesfatty acylshydrocarbon derivativesorganic oxidesorganopnictogen compoundssulfenyl compoundsthia fatty acidsthioenol ethers |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidallyl sulfur compoundorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic aminesulfenyl compoundsecondary aminethia fatty acidthioenoletherorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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