| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:19 UTC |
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| Update Date | 2025-03-25 00:49:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02174613 |
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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 | CCCCC(NCC(=O)O)=C(C)CCC(=O)O |
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| InChI Key | IREAVMJYQQUFNQ-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 | amino acidsamino fatty acidscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesfatty acylshydrocarbon derivativesmedium-chain fatty acidsmethyl-branched fatty acidsorganic oxidesorganopnictogen compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidsecondary aliphatic aminemethyl-branched fatty acidsecondary amineamino fatty acidbranched fatty acidorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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