| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:25 UTC |
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| Update Date | 2025-03-21 18:06:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00065523 |
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| Frequency | 46.7 |
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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 | C=CC(=O)CSCC(N)C(=O)O |
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| InChI Key | ORSPYEKTCDDXJG-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 | cysteine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acryloyl compoundsalpha amino acidscarboxylic acidsdialkylthioethersenoneshydrocarbon derivativesketonesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha,beta-unsaturated ketoneorganosulfur compoundketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundenonesulfenyl compounddialkylthioethermonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativeshydrocarbon derivativeacryloyl-groupprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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