| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:03 UTC |
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| Update Date | 2025-03-25 00:50:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180927 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13NO7S |
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| Molecular Mass | 279.0413 |
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| SMILES | O=C(O)CCC(=O)SCC(NCC(=O)O)C(=O)O |
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| InChI Key | YCYQUXSUOKFDLI-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 acidsamino acidscarbonyl compoundscarbothioic s-esterscarboxylic acidsdialkylaminesfatty acyl thioestershydrocarbon derivativesorganic oxidesorganopnictogen compoundssulfenyl compoundsthia fatty acidsthioestersthiolactonestricarboxylic acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidtricarboxylic acid or derivativesorganosulfur compoundcarbothioic s-esterorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundfatty acyl thioesterthiolactonesecondary aliphatic aminethiocarboxylic acid or derivativessulfenyl compoundthiocarboxylic acid estersecondary aminethia fatty acidorganic oxygen compoundcysteine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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