| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:01 UTC |
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| Update Date | 2025-03-21 18:03:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00045817 |
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| Frequency | 73.3 |
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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 | CNC(CCSSCCC(N)C(=O)O)C(=O)O |
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| InChI Key | NSXPWARFWLAZMX-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 | amino acidscarbonyl compoundscarboxylic acidsdialkylaminesdialkyldisulfidesdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundssulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidfatty acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic aminesulfenyl compoundsecondary aminedialkyldisulfidethia fatty acidorganic oxygen compoundorganic disulfidedicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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