| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:46 UTC |
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| Update Date | 2025-03-25 00:57:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226087 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H11N3O5S |
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| Molecular Mass | 249.0419 |
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| SMILES | CC(=O)NNC(=S)NC(CC(=O)O)C(=O)O |
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| InChI Key | NTFXKMJARNVVQP-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 | aliphatic acyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidscarbonyl compoundscarboxylic acid hydrazidescarboxylic acidsdicarboxylic acids and derivativesfatty acids and conjugateshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsthiosemicarbazidesthioureas |
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| Substituents | aliphatic acyclic compoundcarboxylic acid hydrazidecarbonyl groupthioureacarboxylic acidfatty acidorganosulfur compoundorganic oxideorganic oxygen compoundthiosemicarbazideaspartic acid or derivativesorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundacetamideorganooxygen compound |
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