| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:59 UTC |
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| Update Date | 2025-03-21 18:33:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00098032 |
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| Frequency | 43.0 |
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| Structure | |
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| Chemical Formula | C10H18N2O5S |
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| Molecular Mass | 278.0936 |
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| SMILES | CSCCC(NC(C)=O)C(=O)NC(CO)C(=O)O |
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| InChI Key | ZWHJAAUWNASCAB-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 | dipeptides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acetamidesalpha amino acid amidesalpha amino acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmethionine and derivativesmonocarboxylic acids and derivativesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholssecondary carboxylic acid amidesserine and derivativessulfenyl compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amidealpha-amino acid or derivativesorganosulfur compoundbeta-hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholacetamiden-acyl-alpha amino acid or derivativesalcoholsulfenyl compoundalpha-amino acid amiden-acyl-alpha-amino aciddialkylthioetherhydroxy acidcarboxamide groupn-acyl-aminen-substituted-alpha-amino acidalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioethermethionine or derivativeshydrocarbon derivativeorganic nitrogen compoundserine or derivativesorganooxygen compound |
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