| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:38 UTC |
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| Update Date | 2025-03-21 18:41:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135494 |
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| Frequency | 18.5 |
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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 | Cn1cnc(CC(N)C(=O)NC(CCCNC(=N)N)C(=O)O)c1 |
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| InChI Key | VLACZJBLEWZZRR-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 acidsfatty amidesguanidinesheteroaromatic compoundshydrocarbon derivativesimidazolesiminesmonoalkylaminesmonocarboxylic acids and derivativesn-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 groupalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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