| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:32 UTC |
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| Update Date | 2025-03-25 00:51:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186582 |
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| Frequency | 0.5 |
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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 | NCC(=O)CSCC(N)C(=O)NCC(=O)O |
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| InChI Key | ISAFKEXIBOVZOD-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 | acyl glycines |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidscarboxylic acidscysteine and derivativesdialkylthioethersdipeptideshydrocarbon derivativesketonesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidorganosulfur compoundalpha peptideketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compoundalpha-amino acid amidedialkylthioethercarboxamide groupn-acylglycinealpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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