| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:01 UTC |
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| Update Date | 2025-03-21 18:34:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00100544 |
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| Frequency | 27.2 |
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| Structure | |
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| Chemical Formula | C9H18N2O4S3 |
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| Molecular Mass | 314.0429 |
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| SMILES | NC(CCSSCCSCC(N)C(=O)O)C(=O)O |
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| InChI Key | IUIKOORHYGANFD-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 | cysteine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidsdialkyldisulfidesdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compounddialkylthioetherdialkyldisulfidethia fatty acidorganic oxygen compoundthioetherorganic disulfidecysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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