| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:24 UTC |
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| Update Date | 2025-03-25 00:47:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161054 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12N3O3+ |
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| Molecular Mass | 210.0873 |
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| SMILES | NCC(C(=O)O)[n+]1cccc(C(N)=O)c1 |
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| InChI Key | LYKPXJLNCKZEDN-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesmonocarboxylic acids and derivativesnicotinamidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidespyridinecarboxylic acids and derivativesvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativescarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundnicotinamidealpha-amino acid or derivativesorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationorganoheterocyclic compoundvinylogous amideazacycleheteroaromatic compoundhydroxypyridinecarboxamide groupbeta amino acid or derivativesmonocarboxylic acid or derivativespyridineorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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