| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:03 UTC |
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| Update Date | 2025-03-25 00:45:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151262 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H35N9O4 |
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| Molecular Mass | 489.2812 |
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| SMILES | N=C(N)NCCCC(N)C(=O)N1Cc2ccccc2CC1C(=O)NC(CCCNC(=N)N)C(=O)O |
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| InChI Key | JHUQDPOBENJMOQ-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 acidsarginine and derivativesazacyclic compoundsbenzenoidscarbonyl compoundscarboximidamidescarboxylic acidsguanidineshydrocarbon derivativesiminesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidestertiary carboxylic acid amidestetrahydroisoquinolines |
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| Substituents | carbonyl groupcarboxylic acidguanidineiminealpha-amino acid or derivativesorganic oxidearomatic heteropolycyclic compoundarginine or derivativestertiary carboxylic acid amideorganonitrogen compoundtetrahydroisoquinolinealpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalpha-amino acid amideazacyclen-acyl-alpha-amino acidcarboximidamidecarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic aminealpha-oligopeptideorganic nitrogen compoundorganooxygen compound |
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