| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:09 UTC |
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| Update Date | 2025-03-25 00:47:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162771 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13N3O6S |
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| Molecular Mass | 291.0525 |
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| SMILES | O=C(Cc1cnc[nH]1)NC(CCS(=O)(=O)O)C(=O)O |
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| InChI Key | UIDNYQAUMRGUGE-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsfatty acylsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acidssecondary carboxylic acid amidessulfonylsthia fatty acids |
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| Substituents | fatty acylorganosulfonic acid or derivativescarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundorganosulfonic acidorganosulfur compoundorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazoleazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesthia fatty acidsulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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