| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:17 UTC |
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| Update Date | 2025-03-21 18:34:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00098737 |
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| Frequency | 27.8 |
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| Structure | |
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| Chemical Formula | C14H22N6O3 |
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| Molecular Mass | 322.1753 |
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| SMILES | N=C(N)NCCCC(NC(=O)C(N)Cc1ccccn1)C(=O)O |
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| InChI Key | COIAYUBNOFULOK-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 heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalpha amino acid amidesalpha amino acidsarginine and derivativesazacyclic compoundscarbonyl compoundscarboximidamidescarboxylic acidsfatty amidesguanidinesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesiminesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundguanidineiminefatty amidealpha-amino acid or derivativesorganic oxidearginine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalpha-amino acid amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundhydroxypyridinecarboximidamidecarboxamide groupalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativespyridineorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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