| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:06 UTC |
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| Update Date | 2025-03-25 00:59:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238038 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H14N2O5S |
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| Molecular Mass | 262.0623 |
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| SMILES | O=C(O)CN=C(S)NCCCCC(=O)C(=O)O |
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| InChI Key | IXMPXAVHDYQQDO-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 acyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmedium-chain keto acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsthioureas |
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| Substituents | aliphatic acyclic compoundcarbonyl groupthioureacarboxylic acidorganosulfur compoundalpha-hydroxy ketoneketoneorganic oxideorganic oxygen compoundketo acidorganonitrogen compoundalpha-keto acidalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundmedium-chain keto acid |
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