| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:34 UTC |
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| Update Date | 2025-03-21 18:40:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130797 |
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| Frequency | 19.4 |
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| Structure | |
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| Chemical Formula | C19H26N6O4 |
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| Molecular Mass | 402.2016 |
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| SMILES | CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCNC(=N)N)C(=O)O |
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| InChI Key | JMQKAJFMFRFKDG-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 heteropolycyclic compounds |
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| Alternative Parents | acetamidesalpha amino acid amidesalpha amino acidsarginine and derivativesazacyclic compoundsbenzenoidscarbonyl compoundscarboximidamidescarboxylic acidsfatty amidesguanidinesheteroaromatic compoundshydrocarbon derivativesiminesindolesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundspyrrolessecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidindoleguanidineiminefatty amidealpha-amino acid or derivativesorganic oxidearomatic heteropolycyclic compoundarginine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundacetamiden-acyl-alpha amino acid or derivativesalpha-amino acid amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundindole or derivativescarboximidamidecarboxamide groupn-substituted-alpha-amino acidalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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