| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:36:48 UTC |
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| Update Date | 2025-03-21 17:57:28 UTC |
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| HMDB ID | HMDB0253664 |
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| Metabolite Identification |
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| DeepMet ID | DMID00008002 |
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| Name | Isonipecotic acid |
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| Frequency | 619.0 |
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| Structure | |
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| Chemical Formula | C6H11NO2 |
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| Molecular Mass | 129.079 |
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| SMILES | O=C(O)C1CCNCC1 |
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| InChI Key | SRJOCJYGOFTFLH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | piperidines |
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| Subclass | piperidinecarboxylic acids and derivatives |
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| Direct Parent | piperidinecarboxylic acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspiperidines |
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| Substituents | secondary aliphatic aminecarbonyl groupcarboxylic acidazacycleamino acid or derivativesamino acidsecondary aminecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativepiperidinecarboxylic acidorganic nitrogen compoundorganooxygen compoundamine |
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