| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:07 UTC |
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| Update Date | 2025-03-25 00:54:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206068 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H14N2O3S |
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| Molecular Mass | 206.0725 |
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| SMILES | NC(=O)CCSCC(N)CC(=O)O |
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| InChI Key | IUXVPGRLVRAVFG-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 | carbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidessulfenyl compoundsthia fatty acids |
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| Substituents | primary carboxylic acid amidefatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetherfatty acidorganosulfur compoundcarboxamide groupbeta amino acid or derivativesorganic oxidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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