| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:23 UTC |
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| Update Date | 2025-03-25 00:58:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02229601 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H21NO4 |
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| Molecular Mass | 243.1471 |
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| SMILES | CCCC=CCC=CC(O)C(O)C(N)C(=O)O |
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| InChI Key | GRBXLTWATNZSKP-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,2-diolsamino fatty acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidmedium-chain hydroxy acidbeta-hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acid1,2-diolalcoholhydroxy acidamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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