| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:14 UTC |
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| Update Date | 2025-03-25 00:53:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199488 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H11N5O3 |
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| Molecular Mass | 225.0862 |
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| SMILES | NC(=O)C(N)=NC(Cc1c[nH]cn1)C(=O)O |
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| InChI Key | YLDWGLOAALHIRS-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 acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amidinesazacyclic compoundscarbonyl compoundscarboximidamidescarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary carboxylic acid amidespropargyl-type 1,3-dipolar organic compounds |
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| Substituents | primary carboxylic acid amidecarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamidinepropargyl-type 1,3-dipolar organic compoundorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazoleazacycleheteroaromatic compoundorganic 1,3-dipolar compoundcarboximidamidecarboxamide groupmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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