| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:42:45 UTC |
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| Update Date | 2025-03-25 00:23:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01305939 |
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| Frequency | 1.0 |
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| Structure | |
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| Chemical Formula | C4H5N3O+ |
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| Molecular Mass | 111.0427 |
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| SMILES | NC(=O)C1=C[N+]=CN1 |
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| InChI Key | JTKSZTCXDWOEDZ-UHFFFAOYSA-N |
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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 | azacyclic compoundscarbonyl compoundscarboximidamidescarboxylic acids and derivativesformamidineshydrocarbon derivativesorganic cationsorganic oxidesorganopnictogen compoundsprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidecarbonyl groupazacycleamidinecarboximidamidecarboxamide groupformamidineorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganoheterocyclic compoundorganooxygen compound |
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