| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:47 UTC |
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| Update Date | 2025-03-21 18:33:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00097528 |
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| Frequency | 28.3 |
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| Structure | |
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| Chemical Formula | C10H18N4O5S |
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| Molecular Mass | 306.0998 |
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| SMILES | NCCCCC(=O)NC(CSN=O)C(=O)NCC(=O)O |
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| InChI Key | WSTFTSHHGYJETI-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 acidscarbonyl compoundscarboxylic acidscysteine and derivativesdelta amino acids and derivativesdipeptideshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesnitrosothiolsorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amideorganosulfur compoundalpha peptidenitrosothiolorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compounddelta amino acid or derivativesorganic s-nitroso compoundorganic nitroso compoundsulfenyl compoundalpha-amino acid amidecarboxamide groupn-acyl-aminen-acylglycinealpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundnitrosothiol-group |
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