| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:26 UTC |
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| Update Date | 2025-03-25 00:53:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199969 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12N4O4S |
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| Molecular Mass | 260.0579 |
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| SMILES | Cn1c(CC(N)C(=O)O)nnc1SCC(=O)O |
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| InChI Key | DEIOSZGGBMZZFS-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 | alkylarylthioethersazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundstriazoles |
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| Substituents | triazolecarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundalkylarylthioetherorganosulfur compoundaryl thioetherorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolesulfenyl compound1,2,4-triazoleazacycleheteroaromatic compoundorganic oxygen compoundthioetherdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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