| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:30 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 | DMID02218682 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H17N4O2+ |
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| Molecular Mass | 213.1346 |
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| SMILES | Cn1cnnc1CC(C(=O)O)[N+](C)(C)C |
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| InChI Key | QTAIBRNJFLNTNH-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 | aminesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstetraalkylammonium saltstriazoles |
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| Substituents | triazolecarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundorganic oxidealpha-amino acidorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltorganoheterocyclic compoundazoletetraalkylammonium salt1,2,4-triazoleazacyclequaternary ammonium saltheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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