| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:18:32 UTC |
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| Update Date | 2025-03-25 01:00:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02243644 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H17NO6S2 |
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| Molecular Mass | 311.0497 |
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| SMILES | CC(=O)NC(CCSSCCC(O)C(=O)O)C(=O)O |
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| InChI Key | WDORSIWAZULCAE-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidsalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkyldisulfidesdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivativessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidalpha-hydroxy acidmonosaccharidefatty acidorganosulfur compoundsaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidacetamidealcoholsulfenyl compoundn-acyl-alpha-amino acidhydroxy acidcarboxamide groupsecondary carboxylic acid amidedialkyldisulfidethia fatty acidorganic oxygen compoundorganic disulfidesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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