| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:57 UTC |
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| Update Date | 2025-03-21 18:28:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00071626 |
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| Frequency | 41.9 |
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| Structure | |
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| Chemical Formula | C8H13N3O3S |
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| Molecular Mass | 231.0678 |
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| SMILES | C[N+](C)([O-])C(Cc1c[nH]c(=S)[nH]1)C(=O)O |
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| InChI Key | WALMTOVHHIATSW-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 acidsheteroaromatic compoundshydrocarbon derivativesimidazolesimidazolethionesmonocarboxylic acids and derivativesorganic oxidesorganic oxoanionic compoundsorganopnictogen compoundsthioureastrialkyl amine oxidestrisubstituted amine oxides and derivatives |
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| Substituents | carbonyl groupthioureacarboxylic acidaromatic heteromonocyclic compoundtrialkyl amine oxideimidazole-2-thioneorganosulfur compoundorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazoleazacyclen-oxideheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundtrisubstituted n-oxideaminoxidehydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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