| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:44:52 UTC |
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| Update Date | 2025-03-21 18:49:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00169030 |
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| Frequency | 13.9 |
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| Structure | |
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| Chemical Formula | C4H5N5O |
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| Molecular Mass | 139.0494 |
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| SMILES | NC(=O)c1ncnnc1N |
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| InChI Key | ZTOMBQAFADTPQQ-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 | carboxylic acid derivatives |
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| Direct Parent | 2-heteroaryl carboxamides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2,4-triazinesamino acids and derivativesazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminesprimary carboxylic acid amidesvinylogous amides |
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| Substituents | primary carboxylic acid amidevinylogous amidearomatic heteromonocyclic compoundazacycleamino acid or derivativesheteroaromatic compound2-heteroaryl carboxamideorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundtriazinehydrocarbon derivativeprimary amineorganic nitrogen compoundimidolactam1,2,4-triazineamineorganoheterocyclic compoundorganooxygen compound |
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