| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:37 UTC |
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| Update Date | 2025-03-25 00:59:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239212 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H19N4O2+ |
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| Molecular Mass | 251.1503 |
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| SMILES | Cn1cnc2[nH]cc(CC(C(=O)O)[N+](C)(C)C)c21 |
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| InChI Key | NKVKAOHTBCGZPQ-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 heteropolycyclic compounds |
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| Alternative Parents | aminesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesn-substituted imidazolesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundspyrrolestetraalkylammonium salts |
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| Substituents | carbonyl groupcarboxylic acidorganic oxidearomatic heteropolycyclic compoundimidazolealpha-amino acidorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltorganoheterocyclic compoundazolen-substituted imidazoletetraalkylammonium saltazacyclequaternary ammonium saltheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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