| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:59 UTC |
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| Update Date | 2025-03-25 00:56:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217497 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12N2O6S |
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| Molecular Mass | 276.0416 |
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| SMILES | O=C(O)CCC1NC(=O)SCC(C(=O)O)NC1=O |
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| InChI Key | OPJLHZGRCJETBY-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 | dipeptides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesthiolactones |
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| Substituents | carbonyl groupcarbonic acid derivativelactamcarboxylic acidazacyclealpha-amino acid or derivativescarboxamide groupalpha-dipeptidesecondary carboxylic acid amideorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundthiolactoneorganoheterocyclic compoundorganooxygen compound |
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