| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:03 UTC |
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| Update Date | 2025-03-21 17:57:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00010952 |
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| Frequency | 425.9 |
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| Structure | |
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| Chemical Formula | C9H18N2O4S |
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| Molecular Mass | 250.0987 |
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| SMILES | NC(CCCSCCC(N)C(=O)O)C(=O)O |
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| InChI Key | UFTWXADINNXXFW-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 acidsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetherfatty acidorganosulfur compoundorganic oxidethia fatty acidorganic oxygen compoundthioetherorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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