| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:10 UTC |
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| Update Date | 2025-03-21 18:31:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00084152 |
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| Frequency | 34.1 |
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| Structure | |
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| Chemical Formula | C12H18N4O4 |
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| Molecular Mass | 282.1328 |
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| SMILES | NC(=O)CCC(NC(=O)C(N)Cc1cc[nH]c1)C(=O)O |
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| InChI Key | CKXJJNZQFFMWAU-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 | dipeptides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsfatty amidesglutamine and derivativesheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidespyrrolessecondary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidefatty acylcarbonyl groupcarboxylic acidglutamine or derivativesaromatic heteromonocyclic compoundfatty amidealpha-amino acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalpha-amino acid amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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