| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:32 UTC |
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| Update Date | 2025-03-25 00:49:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177461 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13N3O3S |
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| Molecular Mass | 255.0678 |
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| SMILES | Cn1cncc1CC1SCC(C(=O)O)NC1=O |
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| InChI Key | IONXLTIFXPDTMU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesimidazoleslactamsmonocarboxylic acids and derivativesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesthiomorpholine carboxylic acids and derivatives |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundthiomorpholine-3-carboxylic acidorganoheterocyclic compoundazolen-substituted imidazole1,4-thiazinaneazacycledialkylthioetherheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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