| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:44 UTC |
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| Update Date | 2025-03-21 18:01:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00030685 |
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| Frequency | 121.0 |
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| Structure | |
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| Chemical Formula | C12H19NO5 |
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| Molecular Mass | 257.1263 |
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| SMILES | O=C=C(CCCCCCCC(=O)O)NCC(=O)O |
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| InChI Key | JYCXOBOONASVRU-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 acidsorganic oxidesorganopnictogen compoundsynolates |
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| Substituents | fatty acylaliphatic acyclic compoundsecondary aliphatic aminecarbonyl groupcarboxylic acidamino acidsecondary amineamino fatty acidorganic oxideorganic oxygen compoundynolateorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativemedium-chain fatty acidorganic nitrogen compoundorganooxygen compoundamine |
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