| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:22 UTC |
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| Update Date | 2025-03-25 00:50:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179349 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H14N4O3S |
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| Molecular Mass | 258.0787 |
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| SMILES | CSCCNc1[nH]c(=O)n(C)c(=O)c1C(N)=O |
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| InChI Key | RVNWXLYXAYWYJA-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 | diazines |
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| Subclass | pyrimidines and pyrimidine derivatives |
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| Direct Parent | pyrimidinecarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acids and derivativesazacyclic compoundscarboxylic acids and derivativesdialkylthioethersheteroaromatic compoundshydrocarbon derivativeslactamsorganic carbonic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary carboxylic acid amidespyrimidonessecondary alkylarylaminessulfenyl compoundsvinylogous amides |
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| Substituents | primary carboxylic acid amidelactamaromatic heteromonocyclic compoundamino acid or derivativespyrimidoneorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundvinylogous amidecarbonic acid derivativesulfenyl compoundazacycledialkylthioetherheteroaromatic compoundpyrimidine-5-carboxylic acid or derivativessecondary aminecarboxamide groupsecondary aliphatic/aromatic amineorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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