| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:26 UTC |
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| Update Date | 2025-03-21 18:37:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00116251 |
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| Frequency | 22.6 |
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| Structure | |
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| Chemical Formula | C7H16N2O2S2 |
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| Molecular Mass | 224.0653 |
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| SMILES | CC(N)CSSCCC(N)C(=O)O |
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| InChI Key | NENPHHFWJZDTIY-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 acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic 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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