| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:57 UTC |
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| Update Date | 2025-03-21 18:02:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00040787 |
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| Frequency | 84.5 |
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| Structure | |
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| Chemical Formula | C7H15N3O3S |
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| Molecular Mass | 221.0834 |
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| SMILES | NC(=O)C(N)CSCCC(N)C(=O)O |
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| InChI Key | WAYORTRNXOIIAJ-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 | cysteine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl 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 acidfatty acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compounddialkylthioethercarboxamide groupmonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioethercysteine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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