| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:54 UTC |
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| Update Date | 2025-03-25 00:52:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02194124 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H19N3O2S3 |
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| Molecular Mass | 297.0639 |
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| SMILES | CN=C(S)NCCCSSCCC(N)C(=O)O |
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| InChI Key | LLBAOZJMEBEUSY-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 acidsdialkyldisulfideshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthia fatty acidsthioureas |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupthioureacarboxylic acidsulfenyl compoundfatty acidorganosulfur compounddialkyldisulfideorganic oxidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundorganic disulfideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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