| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:07 UTC |
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| Update Date | 2025-03-25 00:47:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160452 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13N5O4 |
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| Molecular Mass | 255.0968 |
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| SMILES | Nc1cc(NC(=O)CCC(N)C(=O)O)nc(=O)[nH]1 |
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| InChI Key | SHQDUYDXDATBQZ-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 acidsfatty amidesheteroaromatic compoundshydrocarbon derivativesimidolactamsmonoalkylaminesmonocarboxylic acids and derivativesn-arylamidesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundspyrimidonessecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidglutamine or derivativesaromatic heteromonocyclic compoundamino acidfatty amidepyrimidonen-arylamidepyrimidineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundcarbonic acid derivativeazacycleheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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