| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:02 UTC |
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| Update Date | 2025-03-21 18:00:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00029062 |
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| Frequency | 129.0 |
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| Structure | |
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| Chemical Formula | C9H15NO5 |
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| Molecular Mass | 217.095 |
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| SMILES | O=CCCCCC(NCC(=O)O)C(=O)O |
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| InChI Key | XQESHGOBTIUTMT-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 | alpha-hydrogen aldehydesamino acidsamino fatty acidscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesmedium-chain fatty acidsorganic oxidesorganopnictogen compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidfatty acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidsecondary aliphatic aminealdehydesecondary amineamino fatty acidorganic oxygen compoundalpha-hydrogen aldehydedicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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