| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:51 UTC |
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| Update Date | 2025-03-25 00:46:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153110 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H22N4O6 |
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| Molecular Mass | 318.1539 |
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| SMILES | NC(=O)CC(NC(=O)CNCCCCC(N)C(=O)O)C(=O)O |
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| InChI Key | ZHEZDSMOODNNKU-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 acidsamino fatty acidsasparagine and derivativescarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesfatty amideshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesn-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 acidamino acid or derivativesamino acidfatty amidefatty acidalpha-amino acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidasparagine or derivativesn-acyl-alpha amino acid or derivativessecondary aliphatic aminealpha-amino acid amiden-acyl-alpha-amino acidsecondary aminecarboxamide groupamino fatty acidn-substituted-alpha-amino acidalpha-dipeptidesecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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