| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:03 UTC |
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| Update Date | 2025-03-21 18:06:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00064636 |
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| Frequency | 47.6 |
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| Structure | |
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| Chemical Formula | C10H16N3O3S+ |
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| Molecular Mass | 258.0907 |
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| SMILES | C[N+](C)(C)C(Cc1c[nH]c(=S)[nH]c1=O)C(=O)O |
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| InChI Key | VAKPCQLJFCDYOU-UHFFFAOYSA-O |
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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-thiopyrimidinesaminesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundspyrimidinethionespyrimidonestetraalkylammonium saltsthioureasvinylogous amides |
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| Substituents | carbonyl groupthiourealactamcarboxylic acidpyrimidinethionearomatic heteromonocyclic compoundpyrimidoneorganosulfur compoundpyrimidineorganic oxidealpha-amino acidorganonitrogen compoundorganopnictogen compound2-thiopyrimidineorganic cationorganic saltorganoheterocyclic compoundvinylogous amidetetraalkylammonium saltazacyclequaternary ammonium saltheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compoundthiopyrimidine |
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