| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:27 UTC |
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| Update Date | 2025-03-25 00:59:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238839 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12N4O3 |
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| Molecular Mass | 212.0909 |
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| SMILES | NC(=O)CC(NCc1c[nH]cn1)C(=O)O |
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| InChI Key | MGPSPRASGLWNFV-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 | asparagine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesfatty amidesheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidefatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidfatty amideorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundasparagine or derivativesorganoheterocyclic compoundazolesecondary aliphatic amineazacycleheteroaromatic compoundsecondary aminecarboxamide groupmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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