| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:53 UTC |
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| Update Date | 2025-03-21 18:35:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00105179 |
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| Frequency | 25.7 |
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| Structure | |
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| Chemical Formula | C11H16N4O4 |
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| Molecular Mass | 268.1172 |
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| SMILES | CC(=O)NC(Cc1cncn1C)C(=O)NCC(=O)O |
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| InChI Key | MDMULWNNHYZGQX-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 | acyl glycines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesalpha amino acid amidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdipeptidesfatty amidesheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundfatty amidealpha peptideorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundacetamideazolen-substituted imidazolealpha-amino acid amideazacycleheteroaromatic compoundcarboxamide groupn-acylglycinealpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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