| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:09 UTC |
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| Update Date | 2025-03-21 18:39:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00127393 |
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| Frequency | 20.0 |
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| Structure | |
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| Chemical Formula | C11H17NO5 |
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| Molecular Mass | 243.1107 |
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| SMILES | CCC(C)C(NC(=O)C1CCC(=O)O1)C(=O)O |
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| InChI Key | YTURULAPWAAUPW-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 | isoleucine and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesgamma butyrolactonesheterocyclic fatty acidshydrocarbon derivativesmethyl-branched fatty acidsn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amidesshort-chain hydroxy acids and derivativestetrahydrofurans |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidshort-chain hydroxy acidheterocyclic fatty acidfatty acidlactoneorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundisoleucine or derivativesorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesmethyl-branched fatty acidn-acyl-alpha-amino acidtetrahydrofurancarboxamide groupbranched fatty acidgamma butyrolactoneoxacyclesecondary carboxylic acid amideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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