| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:34:36 UTC |
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| Update Date | 2025-03-21 17:56:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00002884 |
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| Frequency | 2057.7 |
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| Structure | |
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| Chemical Formula | C9H18N2O4S2 |
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| Molecular Mass | 282.0708 |
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| SMILES | NC(CCCSSCCC(N)C(=O)O)C(=O)O |
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| InChI Key | MNGLQSXNHHPSQP-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 acidsdialkyldisulfidesdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compoundfatty acidorganosulfur compounddialkyldisulfideorganic oxidethia fatty acidorganic oxygen compoundorganic disulfideorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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