| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:01 UTC |
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| Update Date | 2025-03-25 00:58:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02228828 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13N5O4 |
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| Molecular Mass | 267.0968 |
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| SMILES | CC(=O)NC(CC(=O)c1ncnc(N)c1N)C(=O)O |
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| InChI Key | KHJZNYCENOOEHN-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-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidsamino acidsaryl alkyl ketonesazacyclic compoundscarboxylic acidsgamma-keto acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidolactamsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminespyrimidines and pyrimidine derivativessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundamino acidpyrimidineketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundacetamidevinylogous amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupgamma-keto acidsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compoundaryl ketone |
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