| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:27 UTC |
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| Update Date | 2025-03-25 00:45:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149826 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H5N5O5S |
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| Molecular Mass | 259.0011 |
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| SMILES | Nc1nc2nncc(OS(=O)(=O)O)c2c(=O)[nH]1 |
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| InChI Key | OVLYMKJOFDZAQT-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 | organic sulfuric acids and derivatives |
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| Subclass | arylsulfates |
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| Direct Parent | arylsulfates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminespyridazines and derivativespyrimidonessulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterlactamazacycleheteroaromatic compoundpyrimidonepyrimidineorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyridazineorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativearylsulfateprimary amineorganic nitrogen compoundsulfuric acid esteramineorganoheterocyclic compoundorganooxygen compound |
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