| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:52 UTC |
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| Update Date | 2025-03-25 00:51:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185009 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H23N7O3 |
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| Molecular Mass | 361.1862 |
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| SMILES | N=C(N)NCCCC(NC(=O)C(N)Cc1cnc2ccccn12)C(=O)O |
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| InChI Key | VYEBWLOFSNAUHN-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 | 2-halopyridinesalpha amino acid amidesalpha amino acidsarginine and derivativesazacyclic compoundscarbonyl compoundscarboximidamidescarboxylic acidsfatty amidesguanidinesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidazo[1,2-a]pyridinesimidazolesiminesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsn-substituted imidazolesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidguanidineiminefatty amidealpha-amino acid or derivativesorganic oxidearomatic heteropolycyclic compoundimidazolearginine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganoheterocyclic compoundazolen-substituted imidazolen-acyl-alpha amino acid or derivativesalpha-amino acid amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundhydroxypyridinecarboximidamidecarboxamide groupalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativespyridineorganic oxygen compoundimidazo[1,2-a]pyridinehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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