| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:40 UTC |
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| Update Date | 2025-03-21 18:06:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00063731 |
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| Frequency | 48.4 |
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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(O)C(=O)NC(CCS(C)=O)C(=O)O |
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| InChI Key | OWJNAELECDXUHW-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivativessulfinyl compoundssulfoxidesthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidfatty acidorganosulfur compoundorganic oxidesulfinyl compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidalcoholn-acyl-alpha-amino acidcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundsulfoxidesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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