| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:51 UTC |
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| Update Date | 2025-03-25 00:46:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155487 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12N2O2S |
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| Molecular Mass | 200.0619 |
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| SMILES | Cc1nc(C)c(CC(N)C(=O)O)s1 |
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| InChI Key | NPVXDTNPWCLSDB-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 | 2,4,5-trisubstituted thiazolesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compound2,4,5-trisubstituted 1,3-thiazoleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundthiazoleorganoheterocyclic compoundorganooxygen compoundazole |
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