| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:44 UTC |
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| Update Date | 2025-03-25 00:49:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175586 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H11NO3S |
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| Molecular Mass | 189.046 |
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| SMILES | CSC(=CC(C)=O)NCC(=O)O |
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| InChI Key | XKBPDHYZPCLZLZ-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 | acryloyl compoundsamino acidscarboxylic acidsdialkylaminesenoneshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssulfenyl compoundsvinylogous amidesvinylogous thioesters |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidalpha,beta-unsaturated ketoneorganosulfur compoundketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundenonevinylogous thioestervinylogous amidesecondary aliphatic aminesulfenyl compoundsecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeacryloyl-grouporganic nitrogen compoundorganooxygen compoundamine |
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