| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:08 UTC |
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| Update Date | 2025-03-21 18:39:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00124947 |
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| Frequency | 26.7 |
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| Structure | |
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| Chemical Formula | C22H28N6O4 |
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| Molecular Mass | 440.2172 |
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| SMILES | CC(C)C(N)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O |
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| InChI Key | MJXNDRCLGDSBBE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic polymers |
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| Class | polypeptides |
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| Subclass | polypeptides |
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| Direct Parent | polypeptides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesindolesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspeptidespyrrolessecondary carboxylic acid amidesvaline and derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidindolefatty amidealpha-amino acid or derivativescarboxylic acid derivativealpha peptideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolen-acyl-alpha amino acid or derivativespolypeptidealpha-amino acid amideazacyclen-acyl-alpha-amino acidvaline or derivativesheteroaromatic compoundindole or derivativescarboxamide groupn-acyl-aminen-substituted-alpha-amino acidsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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