| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:51 UTC |
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| Update Date | 2025-03-21 18:04:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00047791 |
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| Frequency | 69.6 |
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| Structure | |
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| Chemical Formula | C15H25N5O9S2 |
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| Molecular Mass | 483.1094 |
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| SMILES | NC(CCC(=O)NC(CSSCC(=O)C(N)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O |
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| InChI Key | NXRPIQYROQKGJY-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 | oligopeptides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acyl glycinesalpha amino acid amidesalpha amino acidsamino acidscarboxylic acidscysteine and derivativesdialkylaminesdialkyldisulfidesglutamine and derivativeshydrocarbon derivativesketonesmonoalkylaminesn-acyl aminesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundstricarboxylic acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidglutamine or derivativesamino acid or derivativesamino acidfatty amidetricarboxylic acid or derivativesalpha-amino acid or derivativesorganosulfur compoundketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativessecondary aliphatic aminesulfenyl compoundalpha-amino acid amiden-acyl-alpha-amino acidsecondary aminecarboxamide groupn-acyl-aminen-acylglycinen-substituted-alpha-amino acidsecondary carboxylic acid amidedialkyldisulfideorganic oxygen compoundorganic disulfidecysteine or derivativeshydrocarbon derivativeprimary aliphatic aminealpha-oligopeptideorganic nitrogen compoundorganooxygen compoundamine |
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