| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:34 UTC |
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| Update Date | 2025-03-25 00:45:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150101 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H28N8O3 |
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| Molecular Mass | 344.2284 |
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| SMILES | N=C(N)NC(=N)NCCCC(NC(=O)C(N)CCCCN)C(=O)O |
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| InChI Key | HZXQJQGJKNNVSI-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 | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsarginine and derivativesbiguanidescarbonyl compoundscarboximidamidescarboxylic acidsfatty acids and conjugateshydrocarbon derivativesiminesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidguanidineiminefatty amidefatty acidalpha-amino acid or derivativesorganic oxidearginine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesalpha-amino acid amiden-acyl-alpha-amino acidcarboximidamidecarboxamide groupn-acyl-aminealpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundbiguanideorganooxygen compound |
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