| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:05 UTC |
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| Update Date | 2025-03-21 18:35:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00108129 |
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| Frequency | 24.8 |
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| Structure | |
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| Chemical Formula | C13H14ClN7O3S |
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| Molecular Mass | 383.0567 |
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| SMILES | Nc1nc(=O)c2c([nH]1)NCC(CNc1ccc(S(N)(=O)=O)c(Cl)c1)=N2 |
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| InChI Key | LYHXKPXDEQQIFO-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 | aminosulfonyl compoundsaryl chloridesazacyclic compoundsbenzenesulfonamidesbenzenesulfonyl compoundschlorobenzenesheteroaromatic compoundshydrocarbon derivativesketiminesorganic oxidesorganochloridesorganooxygen compoundsorganopnictogen compoundsorganosulfonamidesphenylalkylaminesprimary aminespropargyl-type 1,3-dipolar organic compoundspyrimidonessecondary alkylarylaminesvinylogous amides |
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| Substituents | ketimineorganosulfonic acid or derivativesmonocyclic benzene moietyimineorganochloridepyrimidoneorganosulfur compoundorganohalogen compoundpyrimidinepropargyl-type 1,3-dipolar organic compoundorganosulfonic acid amideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundbenzenesulfonyl grouparyl chloridechlorobenzenevinylogous amidepterinbenzenesulfonamideazacycleaminosulfonyl compoundheteroaromatic compoundorganic 1,3-dipolar compoundsecondary aminesecondary aliphatic/aromatic aminearyl halidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesphenylalkylaminehydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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