| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:36 UTC |
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| Update Date | 2025-03-21 18:35:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00106942 |
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| Frequency | 25.2 |
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| Structure | |
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| Chemical Formula | C9H18N2O5S |
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| Molecular Mass | 266.0936 |
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| SMILES | CC(O)C(N)C(=O)NC(CCS(C)=O)C(=O)O |
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| InChI Key | HCCXVCGLPOLDBO-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 | alpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivativessulfinyl compoundssulfoxidesthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidfatty amidefatty acidalpha-amino acid or derivativesorganosulfur compoundorganic oxidesulfinyl compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidn-acyl-alpha amino acid or derivativesalcoholalpha-amino acid amiden-acyl-alpha-amino acidcarboxamide groupn-acyl-aminealpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundsulfoxidesecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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