| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:33 UTC |
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| Update Date | 2025-03-25 00:45:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150087 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16N4O5 |
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| Molecular Mass | 284.1121 |
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| SMILES | CC(NC(=O)NC(Cc1cncn1C)C(=O)O)C(=O)O |
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| InChI Key | ZMRSEHQAVIRLJM-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 | n-carbamoyl-alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alanine and derivativesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesn-substituted imidazolesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolen-substituted imidazolecarbonic acid derivativeazacyclen-carbamoyl-alpha-amino acidheteroaromatic compoundorganic oxygen compounddicarboxylic acid or derivativesalanine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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