| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:57 UTC |
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| Update Date | 2025-03-25 00:55:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02215070 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H16N2O6 |
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| Molecular Mass | 248.1008 |
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| SMILES | CCC(C(=O)O)C(NC(=O)C(N)CO)C(=O)O |
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| InChI Key | CBBPUQCBFDQWKR-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 acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmethyl-branched fatty acidsmonoalkylaminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholssecondary carboxylic acid amidesserine and derivativesshort-chain hydroxy acids 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 acidcarboxamide groupbranched fatty acidalpha-dipeptidesecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundserine or derivativesorganooxygen compound |
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