| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:14 UTC |
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| Update Date | 2025-03-25 00:54:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206331 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H15NO6S |
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| Molecular Mass | 277.062 |
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| SMILES | NC(CSC(=O)CCCCC(=O)C(=O)O)C(=O)O |
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| InChI Key | KDPPGPOEECIACD-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 | cysteine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsalpha-hydroxy ketonesalpha-keto acids and derivativescarbothioic s-esterscarboxylic acidsdicarboxylic acids and derivativesfatty acyl thioestershydrocarbon derivativesmedium-chain keto acids and derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthioestersthiolactones |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidorganosulfur compoundalpha-hydroxy ketonecarbothioic s-esterketoneorganic oxideorganonitrogen compoundalpha-keto acidalpha-amino acidorganopnictogen compoundfatty acyl thioesterthiolactonethiocarboxylic acid or derivativessulfenyl compoundthiocarboxylic acid esterorganic oxygen compoundketo acidcysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundmedium-chain keto acid |
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