| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:39:59 UTC |
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| Update Date | 2025-03-21 17:58:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00015394 |
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| Frequency | 311.5 |
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| Structure | |
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| Chemical Formula | C12H23N3O5 |
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| Molecular Mass | 289.1638 |
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| SMILES | CC(C)CC(NC(=O)NCCCC(N)C(=O)O)C(=O)O |
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| InChI Key | DNKXBPDKQQPVOP-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 | leucine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmethyl-branched fatty acidsmonoalkylaminesn-carbamoyl-alpha amino acidsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarbonic acid derivativecarboxylic acidmethyl-branched fatty acidn-carbamoyl-alpha-amino acidfatty acidbranched fatty acidorganic oxideorganic oxygen compoundn-carbamoyl-alpha-amino acid or derivativesleucine or derivativesorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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