| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:23 UTC |
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| Update Date | 2025-03-21 18:36:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00111303 |
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| Frequency | 23.9 |
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| Structure | |
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| Chemical Formula | C9H15N3O7S |
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| Molecular Mass | 309.0631 |
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| SMILES | NC(CCC(=O)NC(CSN=O)C(O)C(=O)O)C(=O)O |
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| InChI Key | QCIUSALLBLIVHC-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 | glutamine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsalpha hydroxy acids and derivativesbeta amino acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonosaccharidesn-acyl aminesnitrosothiolsorganic oxidesorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivativessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidglutamine or derivativesalpha-hydroxy acidfatty amidemonosaccharidefatty acidorganosulfur compoundnitrosothiolsaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidorganic s-nitroso compoundalcoholorganic nitroso compoundsulfenyl compoundhydroxy acidcarboxamide groupn-acyl-aminebeta amino acid or derivativessecondary carboxylic acid amidethia fatty acidorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundnitrosothiol-group |
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