| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:08 UTC |
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| Update Date | 2025-03-21 18:05:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00057733 |
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| Frequency | 54.9 |
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| Structure | |
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| Chemical Formula | C7H13N3O3S |
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| Molecular Mass | 219.0678 |
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| SMILES | CC(=O)NC(CCSC(=N)N)C(=O)O |
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| InChI Key | FKBAVQKCMKMECE-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 | aliphatic acyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidscarbonyl compoundscarboximidamidescarboxylic acidshydrocarbon derivativesiminesisothioureasmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidiminefatty acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamideisothioureasulfenyl compoundn-acyl-alpha-amino acidcarboximidamidecarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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