| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:22 UTC |
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| Update Date | 2025-03-25 00:47:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163290 |
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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)C1=NC(C(=O)O)CCSCC(C(=O)O)N1 |
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| InChI Key | AXWOPYPNJAGMOC-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | amidinesazacyclic compoundscarbonyl compoundscarboximidamidescarboxylic acidsdialkylthioethershydrocarbon derivativesimidolactamsorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundstricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidazacycledialkylthioethertricarboxylic acid or derivativesorganic 1,3-dipolar compoundamidinecarboximidamidepropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundthioetheraliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundimidolactamorganoheterocyclic compoundorganooxygen compound |
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