| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:22 UTC |
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| Update Date | 2025-03-21 18:31:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00084603 |
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| Frequency | 33.9 |
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| Structure | |
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| Chemical Formula | C6H7N5O5S |
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| Molecular Mass | 261.0168 |
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| SMILES | Nc1nc(=O)c2c([nH]1)NCC(OS(=O)(=O)O)=N2 |
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| InChI Key | KEZSVMDSLAAXBK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pteridines and derivatives |
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| Subclass | pterins and derivatives |
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| Direct Parent | pterins and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminespropargyl-type 1,3-dipolar organic compoundspyrimidonessecondary alkylarylaminessulfuric acid monoestersvinylogous amides |
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| Substituents | sulfuric acid monoesterpyrimidonepyrimidinepropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundvinylogous amidepterinorganic sulfuric acid or derivativesazacycleheteroaromatic compoundorganic 1,3-dipolar compoundsecondary aminesecondary aliphatic/aromatic amineorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundsulfuric acid esteramineorganooxygen compound |
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