| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:48 UTC |
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| Update Date | 2025-03-21 18:33:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00095096 |
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| Frequency | 29.2 |
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| Structure | |
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| Chemical Formula | C9H12N2O4S |
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| Molecular Mass | 244.0518 |
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| SMILES | O=C(O)CCC1SCC2C(=O)NC(=O)NC12 |
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| InChI Key | WCBGJJCABGFQFQ-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 | aliphatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersdiazinanesdicarboximidesfatty acylshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl ureasorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsthia fatty acidsthiolanes |
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| Substituents | thiolanefatty acylcarbonyl groupcarboxylic acidpyrimidonecarboxylic acid derivativealiphatic heteropolycyclic compound1,3-diazinaneorganic oxideorganonitrogen compoundorganopnictogen compounddicarboximideureiden-acyl ureacarbonic acid derivativeazacycledialkylthioethermonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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