| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:38 UTC |
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| Update Date | 2025-03-21 18:36:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00111904 |
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| Frequency | 28.9 |
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| Structure | |
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| Chemical Formula | C9H17N5O5S |
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| Molecular Mass | 307.095 |
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| SMILES | N=C(N)NSCC(NC(=O)CCC(N)C(=O)O)C(=O)O |
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| InChI Key | LTUFTRIBIVPBBL-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 acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboximidamidescarboxylic acidscysteine and derivativesdicarboxylic acids and derivativesfatty acids and conjugatesglutamine and derivativesguanidineshydrocarbon derivativesiminesmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidglutamine or derivativesguanidineiminefatty amidefatty acidalpha-amino acid or derivativesorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativessulfenyl compoundn-acyl-alpha-amino acidcarboximidamidecarboxamide groupn-acyl-aminealpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundcysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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