| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:06 UTC |
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| Update Date | 2025-03-25 00:49:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176441 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16N2O5S |
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| Molecular Mass | 300.078 |
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| SMILES | CC(=O)NC(CSCC(=O)NCc1ccco1)C(=O)O |
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| InChI Key | SWJZBUFVKJKQGD-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylthioethersfuransheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | furancarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundacetamidesulfenyl compoundn-acyl-alpha-amino aciddialkylthioetherheteroaromatic compoundcarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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