| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:38 UTC |
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| Update Date | 2025-03-25 00:47:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161606 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18N4O4 |
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| Molecular Mass | 294.1328 |
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| SMILES | NCCC(=O)NC(CC(=O)c1cccc(N)c1N)C(=O)O |
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| InChI Key | QEQLCBLKBHWTDO-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 | peptidomimetics |
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| Subclass | hybrid peptides |
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| Direct Parent | hybrid peptides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl-phenylketonesalpha amino acidsamino acidsaryl alkyl ketonesbenzoyl derivativesbeta amino acids and derivativesbutyrophenonescarboxylic acidsgamma-keto acids and derivativeshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidesvinylogous amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaryl alkyl ketoneamino acid or derivativesamino acidbenzoylalpha-amino acid or derivativescarboxylic acid derivativeketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesvinylogous amiden-acyl-alpha-amino acidcarboxamide groupbeta amino acid or derivativesphenylketonegamma-keto acidbutyrophenonearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidhybrid peptidehydrocarbon derivativebenzenoidprimary aliphatic amineprimary amineorganic nitrogen compoundaminealkyl-phenylketoneorganooxygen compoundaryl ketone |
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