| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:12 UTC |
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| Update Date | 2025-03-25 00:50:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178984 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H14N2O4S |
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| Molecular Mass | 234.0674 |
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| SMILES | CSCCC(=O)NC(=O)CC(N)C(=O)O |
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| InChI Key | IUYCTDCHCITDSF-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 | asparagine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboximidesfatty acids and conjugateshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesn-unsubstituted carboxylic acid imidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidorganosulfur compoundcarboxylic acid imide, n-unsubstitutedorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compounddicarboximideasparagine or derivativessulfenyl compounddialkylthioethern-acyl-aminecarboxylic acid imidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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