| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:17 UTC |
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| Update Date | 2025-03-21 18:06:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00062831 |
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| Frequency | 49.3 |
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| Structure | |
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| Chemical Formula | C12H20N2O8S |
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| Molecular Mass | 352.094 |
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| SMILES | NC(CSC(C(=O)O)C(O)CCCC(=O)O)C(=O)NCC(=O)O |
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| InChI Key | XNNZJPVNLDBOJH-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 acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscysteine and derivativesdialkylthioethersdipeptidesfatty acylshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidessulfenyl compoundsthia fatty acidstricarboxylic acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidtricarboxylic acid or derivativesorganosulfur compoundalpha peptidebeta-hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidalcoholsulfenyl compoundalpha-amino acid amidedialkylthioetherhydroxy acidcarboxamide groupn-acylglycinealpha-dipeptidesecondary carboxylic acid amidethia fatty acidorganic oxygen compoundthioethercysteine or derivativessecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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