| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:09 UTC |
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| Update Date | 2025-03-25 00:45:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149121 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12N2O5S |
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| Molecular Mass | 260.0467 |
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| SMILES | O=C(O)CCC1SCC2C(O)=NC(C(=O)O)N12 |
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| InChI Key | GQQHAOIMWAZYCO-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidscyclic carboximidic acidsdialkylthioethersdicarboxylic acids and derivativesfatty acylshydrocarbon derivativesimidazolinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsthia fatty acidsthiazolidinesthiohemiaminal derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidpropargyl-type 1,3-dipolar organic compoundaliphatic heteropolycyclic compoundorganic oxideorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundorganoheterocyclic compoundazacycledialkylthioetherorganic 1,3-dipolar compoundthia fatty acidorganic oxygen compoundthioetherimidazolinedicarboxylic acid or derivatives3-imidazolinehydrocarbon derivativeorganic nitrogen compoundcyclic carboximidic acidorganooxygen compoundthiazolidine |
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