| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:54 UTC |
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| Update Date | 2025-03-25 00:45:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150924 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H11NO4S |
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| Molecular Mass | 265.0409 |
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| SMILES | O=C(O)CC(N=C1SCc2ccccc21)C(=O)O |
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| InChI Key | DMLFTIFLWRJQNX-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsbenzenoidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesimidothiolactonesorganic oxidesorganoheterocyclic compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carbonyl groupcarboxylic acidorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundaspartic acid or derivativesorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundimidothiolactoneorganoheterocyclic compoundorganooxygen compound |
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