| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:41 UTC |
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| Update Date | 2025-03-25 00:46:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152739 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H30N6O4 |
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| Molecular Mass | 430.2329 |
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| SMILES | N=C(N)NCCCC(NC(=O)C1Cc2ccccc2CN1C(=O)C1CCCN1)C(=O)O |
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| InChI Key | JXETWNBGYWAJCB-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 | oligopeptides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsamino acidsarginine and derivativesazacyclic compoundsbenzenoidscarbonyl compoundscarboximidamidescarboxylic acidsdialkylaminesguanidineshydrocarbon derivativesiminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundspyrrolidinecarboxamidessecondary carboxylic acid amidestertiary carboxylic acid amidestetrahydroisoquinolines |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidguanidineiminealpha-amino acid or derivativesorganic oxidearomatic heteropolycyclic compoundarginine or derivativestertiary carboxylic acid amideorganonitrogen compoundtetrahydroisoquinolinealpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundn-acyl-alpha amino acid or derivativessecondary aliphatic aminealpha-amino acid amideazacyclen-acyl-alpha-amino acidcarboximidamidesecondary aminecarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidalpha-oligopeptideorganic nitrogen compoundpyrrolidine-2-carboxamideorganooxygen compoundamine |
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