| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:38 UTC |
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| Update Date | 2025-03-25 00:49:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02173041 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H20N2O7 |
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| Molecular Mass | 304.1271 |
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| SMILES | CCC(C)C(NC(=O)CNC(CC(=O)O)C(=O)O)C(=O)O |
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| InChI Key | BOOICIGKBBECOA-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 acidsaspartic acid and derivativescarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesisoleucine and derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acid or derivativesamino acidtricarboxylic acid or derivativesalpha-amino acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundisoleucine or derivativesn-acyl-alpha amino acid or derivativessecondary aliphatic aminealpha-amino acid amiden-acyl-alpha-amino acidsecondary aminecarboxamide groupn-substituted-alpha-amino acidalpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundaspartic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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