| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:06 UTC |
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| Update Date | 2025-03-21 18:03:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00045995 |
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| Frequency | 73.0 |
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| Structure | |
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| Chemical Formula | C7H12N2O4S |
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| Molecular Mass | 220.0518 |
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| SMILES | CC(=O)SCC(N)C(=O)NCC(=O)O |
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| InChI Key | ONBYSCANSGSPFC-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 compoundscarbothioic s-esterscarboxylic acidscysteine and derivativesdipeptideshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthioestersthiolactones |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidorganosulfur compoundalpha peptidecarbothioic s-esterorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundthiolactonethiocarboxylic acid or derivativessulfenyl compoundalpha-amino acid amidethiocarboxylic acid estercarboxamide groupn-acylglycinealpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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