| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:22 UTC |
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| Update Date | 2025-03-21 18:06:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00065408 |
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| Frequency | 46.8 |
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| Structure | |
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| Chemical Formula | C8H15N3O4S |
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| Molecular Mass | 249.0783 |
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| SMILES | NCCC(=O)NC(CS)C(=O)NCC(=O)O |
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| InChI Key | IJABEZRUSOIJQB-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 | peptidomimetics |
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| Subclass | hybrid peptides |
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| Direct Parent | hybrid peptides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acyl glycinesalkylthiolsalpha amino acid amidesalpha amino acidsbeta amino acids and derivativescarbonyl compoundscarboxylic acidscysteine and derivativesdipeptideshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundssecondary carboxylic acid amides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesalpha-amino acid amiden-acyl-alpha-amino acidcarboxamide groupbeta amino acid or derivativesn-acylglycinen-substituted-alpha-amino acidalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativeshybrid peptidehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundalkylthiolorganooxygen compound |
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