| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:31:37 UTC |
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| Update Date | 2025-03-25 01:05:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02273645 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H5N3O |
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| Molecular Mass | 135.0433 |
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| SMILES | O=C1N=CC=C2NC=C1N2 |
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| InChI Key | BCUNCJBDSNBEFV-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 heteropolycyclic compounds |
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| Alternative Parents | 1,4-diazepinesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkylamineshydrocarbon derivativesimidazolinesn-acyliminesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsvinylogous amides |
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| Substituents | n-acyliminecarbonyl grouppropargyl-type 1,3-dipolar organic compoundaliphatic heteropolycyclic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundvinylogous amidesecondary aliphatic amineazacycleorganic 1,3-dipolar compoundsecondary aminepara-diazepineorganic oxygen compoundimidazoline4-imidazolinehydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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