| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:08 UTC |
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| Update Date | 2025-03-25 00:46:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153807 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H17N5OS |
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| Molecular Mass | 267.1154 |
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| SMILES | CSCC1=Nc2c([nH]c(N)nc2=O)NC1C(C)C |
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| InChI Key | MXIQGOJDTVBAHK-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 compoundsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesketiminesorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminespropargyl-type 1,3-dipolar organic compoundspyrimidonessecondary alkylarylaminessulfenyl compoundsvinylogous amides |
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| Substituents | ketimineiminepyrimidoneorganosulfur compoundpyrimidinepropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundvinylogous amidepterinsulfenyl compoundazacycledialkylthioetherheteroaromatic compoundorganic 1,3-dipolar compoundsecondary aminesecondary aliphatic/aromatic amineorganic oxygen compoundthioetherhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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