| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:03 UTC |
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| Update Date | 2025-03-25 00:58:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02231093 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H21NO4 |
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| Molecular Mass | 231.1471 |
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| SMILES | CCOC(=O)C(C)NC(CC(C)C)C(=O)O |
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| InChI Key | NTBSCCARGVBWJG-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 | leucine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alanine and derivativesalpha amino acid estersalpha amino acidsamino acidscarbonyl compoundscarboxylic acid esterscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesmethyl-branched fatty acidsorganic oxidesorganopnictogen compoundsshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidamino acidfatty acidorganic oxideleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic aminemethyl-branched fatty acidalpha-amino acid estersecondary aminebranched fatty acidorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativesalanine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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