| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:31 UTC |
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| Update Date | 2025-03-25 00:59:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238982 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12N3O5+ |
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| Molecular Mass | 278.0771 |
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| SMILES | NC(=O)c1ccc[n+](C2C=C(C(=O)O)NC2C(=O)O)c1 |
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| InChI Key | GUAMPXLOWZMYGO-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 heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesnicotinamidesorganic cationsorganic oxidesorganopnictogen compoundsprimary carboxylic acid amidespyridinecarboxylic acids and derivativespyrroline 2-carboxylic acidsvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativescarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidnicotinamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganoheterocyclic compoundvinylogous amidesecondary aliphatic amineazacyclepyrroline carboxylic acid or derivativesheteroaromatic compoundhydroxypyridinesecondary aminecarboxamide grouppyrroline 2-carboxylic acidpyridineorganic oxygen compoundpyrrolinepyrroline carboxylic aciddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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