| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:18:11 UTC |
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| Update Date | 2025-03-25 01:00:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02242815 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H19NO7S |
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| Molecular Mass | 321.0882 |
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| SMILES | C=C(SCC(O)C(=O)NCC(=O)O)C(O)CCCC(=O)O |
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| InChI Key | DHVWKTBDVVZBTR-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 acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidessulfenyl compoundsthioenol ethers |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidmonosaccharideorganosulfur compoundmedium-chain hydroxy acidsaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidalcoholsulfenyl compoundcarboxamide groupn-acylglycinesecondary carboxylic acid amidethioenoletherorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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