| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:22 UTC |
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| Update Date | 2025-03-21 18:34:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00098961 |
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| Frequency | 27.8 |
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| Structure | |
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| Chemical Formula | C10H17N3O6S |
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| Molecular Mass | 307.0838 |
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| SMILES | NC(CCC(=O)SCC(N)C(=O)NCC(=O)O)C(=O)O |
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| InChI Key | ZCNRQWCQSFVITP-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 derivativesdicarboxylic acids and derivativesdipeptidesfatty acids and conjugatesfatty acyl thioestershydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthioestersthiolactones |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidorganosulfur compoundalpha peptidecarbothioic s-esterorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundfatty acyl thioesterthiolactonethiocarboxylic acid or derivativessulfenyl compoundalpha-amino acid amidethiocarboxylic acid estercarboxamide groupn-acylglycinealpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundcysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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