| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:33 UTC |
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| Update Date | 2025-03-21 18:36:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00111671 |
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| Frequency | 41.2 |
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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 | NC(=O)CCC(NC(Cc1c[nH]cn1)C(=O)O)C(=O)O |
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| InChI Key | XISGQPLGHLGJLH-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 | glutamine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesfatty amidesheteroaromatic compoundshydrocarbon derivativesimidazolesorganic oxidesorganopnictogen compoundsprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidefatty acylcarbonyl groupcarboxylic acidglutamine or derivativesaromatic heteromonocyclic compoundamino acidfatty amideorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolesecondary aliphatic amineazacycleheteroaromatic compoundsecondary aminecarboxamide grouporganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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