| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:33 UTC |
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| Update Date | 2025-03-21 18:06:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00061120 |
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| Frequency | 76.5 |
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| Structure | |
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| Chemical Formula | C8H17N3O2S |
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| Molecular Mass | 219.1041 |
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| SMILES | CNC(=S)NCCCCC(N)C(=O)O |
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| InChI Key | ZRPGWKQIWAUACK-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsthioureas |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupthioureacarboxylic acidfatty acidorganosulfur compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativemedium-chain fatty acidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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