| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:38 UTC |
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| Update Date | 2025-03-25 00:48:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02168483 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H20N2O6 |
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| Molecular Mass | 276.1321 |
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| SMILES | CC(C)C(NCC(=O)NC(C(=O)O)C(C)O)C(=O)O |
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| InChI Key | KCNRCDPYTGSDDC-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 hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmethyl-branched fatty acidsn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivativesvaline and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidamino acid or derivativesamino acidfatty acidalpha-amino acid or derivativesbeta-hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidn-acyl-alpha amino acid or derivativesalcoholsecondary aliphatic aminemethyl-branched fatty acidalpha-amino acid amiden-acyl-alpha-amino acidvaline or derivativeshydroxy acidsecondary aminecarboxamide groupbranched fatty acidn-substituted-alpha-amino acidalpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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