| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:38 UTC |
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| Update Date | 2025-03-21 18:33:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00094694 |
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| Frequency | 29.3 |
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| Structure | |
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| Chemical Formula | C8H14NO4+ |
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| Molecular Mass | 188.0917 |
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| SMILES | C[N+]1(C)CC(O)C(O)C=C1C(=O)O |
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| InChI Key | QLCYVUFITIPEML-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 | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-aminoalcohols1,2-diolsaminesazacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsquaternary ammonium saltssecondary alcoholstetrahydropyridines |
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| Substituents | carbonyl groupcarboxylic acidorganic oxidealiphatic heteromonocyclic compoundalpha-amino acidorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltorganoheterocyclic compound1,2-diolalcoholazacycle1,2-aminoalcoholquaternary ammonium salttetrahydropyridinemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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