| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:31 UTC |
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| Update Date | 2025-03-25 00:56:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218714 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12N2O2S |
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| Molecular Mass | 212.0619 |
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| SMILES | Cn1c(CC(N)C(=O)O)cccc1=S |
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| InChI Key | ZOYJCCNCQQIMJB-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-halopyridinesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundsthiolactams |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundhydroxypyridineorganosulfur compoundorganic oxidemonocarboxylic acid or derivativespyridineorganic oxygen compoundthiolactamorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amine2-halopyridineorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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