| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:27 UTC |
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| Update Date | 2025-03-21 17:58:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00016375 |
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| Frequency | 371.5 |
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| Structure | |
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| Chemical Formula | C9H12N4O5 |
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| Molecular Mass | 256.0808 |
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| SMILES | NC(Cc1c[nH]cn1)C(=O)NC(C(=O)O)C(=O)O |
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| InChI Key | MCCIGFQGBUVHDM-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 | dipeptides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsalpha amino acid amidesalpha amino acidsazacyclic compoundscarboxylic acidsdicarboxylic acids and derivativesfatty amidesheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkylaminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundfatty amidealpha-amino acid or derivativesorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolen-acyl-alpha amino acid or derivativesalpha-amino acid amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupalpha-dipeptidesecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compound |
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