| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:53 UTC |
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| Update Date | 2025-03-25 00:55:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02214923 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H22N4O4 |
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| Molecular Mass | 286.1641 |
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| SMILES | CCC(C)C(NC(=O)C(CCC(N)=O)NC=N)C(=O)O |
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| InChI Key | UBGTYBBGPKSXCU-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 acidscarbonyl compoundscarboximidamidescarboxylic acidsformamidinesglutamine and derivativeshydrocarbon derivativesiminesisoleucine and derivativesmethyl-branched fatty acidsmonocarboxylic 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 derivativesiminefatty amidefatty acidalpha-amino acid or derivativesamidineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundisoleucine or derivativesn-acyl-alpha amino acid or derivativesmethyl-branched fatty acidalpha-amino acid amiden-acyl-alpha-amino acidcarboximidamidecarboxamide groupbranched fatty acidn-acyl-aminen-substituted-alpha-amino acidalpha-dipeptideformamidinesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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