| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 09:07:14 UTC |
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| Update Date | 2025-03-24 20:10:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01364514 |
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| Frequency | 1.0 |
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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 | Nc1ncnc(NC=O)n1 |
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| InChI Key | DMZCKVOVPKHPAY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | n-arylamides |
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| Direct Parent | n-arylamides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativeshalo-s-triazinesheteroaromatic compoundshydrocarbon derivativesn-aliphatic s-triazinesorganic oxidesorganopnictogen compoundsprimary aminessecondary carboxylic acid amides |
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| Substituents | n-aliphatic s-triazinecarbonyl groupamino-1,3,5-triazinearomatic heteromonocyclic compoundamino acid or derivativesn-arylamidecarboxylic acid derivativeorganic oxideorganopnictogen compoundorganoheterocyclic compoundazacycleaminotriazineheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundhalo-s-triazinetriazinehydrocarbon derivative1,3,5-triazineprimary amineamineorganooxygen compound |
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