| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:24 UTC |
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| Update Date | 2025-03-21 18:34:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00101499 |
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| Frequency | 26.9 |
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| Structure | |
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| Chemical Formula | C10H18N2O5 |
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| Molecular Mass | 246.1216 |
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| SMILES | CCC(C)C(NC(CC(N)=O)C(=O)O)C(=O)O |
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| InChI Key | XLBYKZRTXAHKIP-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 | asparagine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesfatty amideshydrocarbon derivativesisoleucine and derivativesmethyl-branched fatty acidsorganic oxidesorganopnictogen compoundsprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidefatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidfatty amidefatty acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundasparagine or derivativesisoleucine or derivativessecondary aliphatic aminemethyl-branched fatty acidsecondary aminecarboxamide groupbranched fatty acidorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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