| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:42 UTC |
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| Update Date | 2025-03-21 18:29:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00078268 |
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| Frequency | 37.4 |
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| Structure | |
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| Chemical Formula | C5H5N5 |
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| Molecular Mass | 135.0545 |
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| SMILES | N#Cc1c(N)ncnc1N |
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| InChI Key | BTVHLEVGNAQTBN-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 | diazines |
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| Subclass | pyrimidines and pyrimidine derivatives |
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| Direct Parent | pyrimidines and pyrimidine derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsnitrilesorganopnictogen compoundsprimary amines |
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| Substituents | nitrilearomatic heteromonocyclic compoundazacycleheteroaromatic compoundpyrimidineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundimidolactamaminecarbonitrile |
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