| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:37 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 | DMID02172992 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H27N3O5 |
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| Molecular Mass | 317.1951 |
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| SMILES | CCC(C)C(NC(=O)C(N)CCCNCCC(=O)O)C(=O)O |
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| InChI Key | HTYYFGPCCIPYDE-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 acidsbeta amino acids and derivativescarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesisoleucine and derivativesmethyl-branched fatty acidsmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acid or derivativesamino acidfatty amidefatty acidalpha-amino acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundisoleucine or derivativesn-acyl-alpha amino acid or derivativessecondary aliphatic aminemethyl-branched fatty acidalpha-amino acid amiden-acyl-alpha-amino acidsecondary aminecarboxamide groupbranched fatty acidn-acyl-aminebeta amino acid or derivativesalpha-dipeptidesecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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