| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:27 UTC |
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| Update Date | 2025-03-21 18:07:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00068001 |
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| Frequency | 44.6 |
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| Structure | |
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| Chemical Formula | C9H15N3O4S |
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| Molecular Mass | 261.0783 |
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| SMILES | NC(=O)CCC(NC(=O)C1CSCN1)C(=O)O |
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| InChI Key | GHDYZTPATWAGQH-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 heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethersfatty amidesglutamine and derivativesheterocyclic fatty acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsprimary carboxylic acid amidessecondary carboxylic acid amidesthiazolidinesthiohemiaminal derivatives |
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| Substituents | primary carboxylic acid amidefatty acylcarbonyl groupcarboxylic acidglutamine or derivativesamino acid or derivativesamino acidheterocyclic fatty acidfatty amidefatty acidalpha-amino acid or derivativesorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativessecondary aliphatic amineazacyclen-acyl-alpha-amino aciddialkylthioethersecondary aminecarboxamide groupalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundaminethiazolidine |
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