| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:00 UTC |
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| Update Date | 2025-03-21 18:07:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00066930 |
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| Frequency | 45.5 |
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| Structure | |
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| Chemical Formula | C12H24N6O4 |
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| Molecular Mass | 316.1859 |
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| SMILES | N=C(N)NCCCCC(NC(=O)C(N)CCC(N)=O)C(=O)O |
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| InChI Key | XSTDDDRDSWUTIT-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 acidsamino fatty acidscarbonyl compoundscarboximidamidescarboxylic acidsglutamine and derivativesguanidineshydrocarbon derivativesiminesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsprimary carboxylic acid amidessecondary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidefatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidglutamine or derivativesguanidineiminefatty amidefatty acidalpha-amino acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidn-acyl-alpha amino acid or derivativesalpha-amino acid amiden-acyl-alpha-amino acidcarboximidamidecarboxamide groupamino fatty acidn-acyl-aminealpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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