| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:57 UTC |
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| Update Date | 2025-03-25 00:56:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217393 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H17N2O6+ |
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| Molecular Mass | 249.1081 |
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| SMILES | CC(=O)NC1C(O)CC(C(=O)O)[N+](C)(O)C1O |
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| InChI Key | PNIFWIBJPMGHGL-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 | acetamidesazacyclic compoundscarbonyl compoundscarboxylic acidshemiaminalshydrocarbon derivativesmonocarboxylic acids and derivativesn-organohydroxylaminesorganic cationsorganic oxidesorganopnictogen compoundspiperidinecarboxylic acidspiperidinessecondary alcoholssecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidhemiaminalorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpiperidinecarboxylic acidorganic cationpiperidineorganoheterocyclic compoundacetamidealkanolaminealcoholazacyclecarboxamide groupn-organohydroxylaminesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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