| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:07 UTC |
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| Update Date | 2025-03-21 18:03:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00046038 |
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| Frequency | 73.0 |
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| Structure | |
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| Chemical Formula | C10H15N3O8S |
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| Molecular Mass | 337.058 |
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| SMILES | O=NSCC(NC(=O)CCC(O)C(=O)O)C(=O)NCC(=O)O |
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| InChI Key | KSGJISBDILKUGH-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 acidsalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidscysteine and derivativesdicarboxylic acids and derivativesdipeptideshydrocarbon derivativeshydroxy fatty acidsmonosaccharidesn-acyl aminesnitrosothiolsorganic oxidesorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivativessulfenyl compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidalpha-hydroxy acidfatty amidemonosaccharidefatty acidorganosulfur compoundalpha peptidenitrosothiolsaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidorganic s-nitroso compoundalcoholorganic nitroso compoundsulfenyl compoundalpha-amino acid amidehydroxy acidcarboxamide groupn-acyl-aminen-acylglycinealpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundcysteine or derivativessecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundnitrosothiol-group |
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