| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:13 UTC |
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| Update Date | 2025-03-25 00:53:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199465 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H14N2O4S |
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| Molecular Mass | 234.0674 |
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| SMILES | NC(=O)CC(N)CCSCC(=O)C(=O)O |
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| InChI Key | KQTOJGWTYWNUEJ-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidsdialkylthioethersfatty amideshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidessulfenyl compounds |
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| Substituents | primary carboxylic acid amidefatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amideorganosulfur compoundalpha-hydroxy ketoneketoneorganic oxideorganonitrogen compoundalpha-keto acidorganopnictogen compoundsulfenyl compounddialkylthioethercarboxamide groupbeta amino acid or derivativesmonocarboxylic acid or derivativesorganic oxygen compoundthioetherketo acidhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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