| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:51 UTC |
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| Update Date | 2025-03-25 00:54:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205470 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H13N3O6S |
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| Molecular Mass | 279.0525 |
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| SMILES | NC(Cc1cncn1CCOS(=O)(=O)O)C(=O)O |
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| InChI Key | OMWPLFSBADYHQR-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 | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl sulfatesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkylaminesmonocarboxylic acids and derivativesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundorganic oxideimidazolealkyl sulfateorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolen-substituted imidazoleorganic sulfuric acid or derivativesazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsulfate-esterhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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