| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:40 UTC |
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| Update Date | 2025-03-21 18:28:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00073337 |
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| Frequency | 62.6 |
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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=CCSCC(=O)NCC(=O)O |
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| InChI Key | SQRMNHDVCJWSCS-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 | acyl glycines |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | allyl sulfur compoundsalpha amino acidscarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidallyl sulfur compoundorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compounddialkylthioethercarboxamide groupn-acylglycinesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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