| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:11 UTC |
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| Update Date | 2025-03-25 00:45:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149193 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H20N2O6S |
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| Molecular Mass | 320.1042 |
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| SMILES | C=C(SCC(N)C(=O)NCC(=O)O)C(O)CCCC(=O)O |
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| InChI Key | UKFKKXZGYQHOSC-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 | acyl glycines |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdicarboxylic acids and derivativesdipeptidesfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidessulfenyl compoundsthioenol ethers |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidorganosulfur compoundmedium-chain hydroxy acidalpha peptideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidalcoholsulfenyl compoundalpha-amino acid amidecarboxamide groupn-acylglycinealpha-dipeptidesecondary carboxylic acid amidethioenoletherorganic oxygen compoundcysteine or derivativessecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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