| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:20 UTC |
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| Update Date | 2025-03-21 18:01:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00034518 |
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| Frequency | 112.8 |
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| Structure | |
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| Chemical Formula | C13H23N7O3 |
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| Molecular Mass | 325.1862 |
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| SMILES | Cn1cncc1CC(NC(=O)C(N)CCCNC(=N)N)C(=O)O |
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| InChI Key | YOAHLADVAZJYAU-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 | alpha amino acid amidesalpha amino acidsarginine and derivativesazacyclic compoundscarbonyl compoundscarboximidamidescarboxylic acidsguanidinesheteroaromatic compoundshydrocarbon derivativesimidazolesiminesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesn-acyl-alpha amino acidsn-substituted imidazolesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundguanidineiminefatty amidealpha-amino acid or derivativesorganic oxideimidazolearginine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolen-substituted imidazolen-acyl-alpha amino acid or derivativesalpha-amino acid amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboximidamidecarboxamide groupn-acyl-aminealpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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