| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:41 UTC |
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| Update Date | 2025-03-21 18:00:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00028245 |
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| Frequency | 133.6 |
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| Structure | |
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| Chemical Formula | C8H15NO5S |
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| Molecular Mass | 237.0671 |
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| SMILES | CC(NC(CCS(C)=O)C(=O)O)C(=O)O |
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| InChI Key | GXGAZDKEAJZCHS-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 | alanine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundssulfinyl compoundssulfoxidesthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidfatty acidorganosulfur compoundorganic oxidesulfinyl compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic aminesecondary aminethia fatty acidorganic oxygen compoundsulfoxidedicarboxylic acid or derivativesalanine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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