| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:01:02 UTC |
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| Update Date | 2025-03-24 22:27:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01205254 |
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| Frequency | 1.1 |
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| Structure | |
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| Chemical Formula | C4H7N5O |
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| Molecular Mass | 141.0651 |
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| SMILES | NCC(=O)Nc1nc[nH]n1 |
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| InChI Key | DHAIQIYDESIJBB-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 acid amides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesn-arylamidesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidestriazoles |
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| Substituents | triazolecarbonyl groupalpha-amino acid amidearomatic heteromonocyclic compound1,2,4-triazoleazacycleheteroaromatic compoundn-arylamidecarboxamide groupsecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundazole |
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