| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:58 UTC |
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| Update Date | 2025-03-25 00:57:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226537 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H16N2O3S |
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| Molecular Mass | 220.0882 |
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| SMILES | CC(SCCNC(=O)CCN)C(=O)O |
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| InChI Key | OBPFOKUHRSQPHS-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 compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetherorganosulfur compoundcarboxamide groupbeta amino acid or derivativessecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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