| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:37 UTC |
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| Update Date | 2025-03-21 18:33:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00097109 |
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| Frequency | 28.4 |
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| Structure | |
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| Chemical Formula | C9H18N2O4 |
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| Molecular Mass | 218.1267 |
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| SMILES | CC(C)(C)C(NC(=O)C(N)CO)C(=O)O |
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| InChI Key | HWILFISPYJRLAI-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 acidscarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmethyl-branched fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholssecondary carboxylic acid amidesserine and derivativesshort-chain hydroxy acids and derivativesvaline and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidfatty acidalpha-amino acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidprimary alcoholn-acyl-alpha amino acid or derivativesalcoholmethyl-branched fatty acidalpha-amino acid amiden-acyl-alpha-amino acidvaline or derivativescarboxamide groupbranched fatty acidalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundserine or derivativesorganooxygen compound |
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