| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:35:20 UTC |
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| Update Date | 2025-03-21 17:56:57 UTC |
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| HMDB ID | HMDB0240627 |
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| Metabolite Identification |
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| DeepMet ID | DMID00004648 |
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| Name | 1-Carboxyethylvaline |
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| Frequency | 1200.0 |
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| Structure | |
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| Chemical Formula | C8H15NO4 |
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| Molecular Mass | 189.1001 |
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| SMILES | CC(NC(C(=O)O)C(C)C)C(=O)O |
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| InChI Key | MHWYRGPPKCKIQY-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 | valine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alanine and derivativesalpha amino acidsamino acidscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesmethyl-branched fatty acidsorganic oxidesorganopnictogen compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidfatty acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic aminemethyl-branched fatty acidvaline or derivativessecondary aminebranched fatty acidorganic oxygen compounddicarboxylic acid or derivativesalanine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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