| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:06 UTC |
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| Update Date | 2025-03-25 01:00:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02245037 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H18N6O4S |
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| Molecular Mass | 366.111 |
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| SMILES | CN1c2c(nc(N)[nH]c2=O)NCC1CNc1cccc(S(=O)(=O)O)c1 |
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| InChI Key | TVDYBQAIJOJYIF-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 | 1-sulfo,2-unsubstituted aromatic compoundsarylsulfonic acids and derivativesazacyclic compoundsbenzenesulfonic acids and derivativesbenzenesulfonyl compoundsdialkylarylaminesheteroaromatic compoundshydrocarbon derivativesimidolactamslactamsorganic oxidesorganooxygen compoundsorganopnictogen compoundsorganosulfonic acidsphenylalkylaminesprimary aminespyrimidonessecondary alkylarylaminessulfonylsvinylogous amides |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietylactamorganosulfonic acidpyrimidonebenzenesulfonateorganosulfur compoundpyrimidineorganic oxidearomatic heteropolycyclic compoundtertiary aliphatic/aromatic amineorganonitrogen compoundorganopnictogen compounddialkylarylamineimidolactamtertiary aminebenzenesulfonyl groupvinylogous amidepterin1-sulfo,2-unsubstituted aromatic compoundazacycleheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic aminesulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesphenylalkylaminehydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
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