| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:05 UTC |
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| Update Date | 2025-03-25 00:58:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02233485 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H10N4O3S |
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| Molecular Mass | 254.0474 |
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| SMILES | Nc1nc(=O)c2c([nH]1)CCSCC(C(=O)O)=N2 |
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| InChI Key | WPGSGSZIYKEBMH-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 | pyrimidones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesketiminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminespropargyl-type 1,3-dipolar organic compoundsvinylogous amides |
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| Substituents | ketiminecarbonyl groupcarboxylic acidamino acid or derivativesamino acidiminepyrimidonecarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundvinylogous amideazacycledialkylthioetherheteroaromatic compoundorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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