| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:14 UTC |
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| Update Date | 2025-03-25 00:49:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02174431 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H39NO4 |
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| Molecular Mass | 369.2879 |
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| SMILES | CCCCCCCC=CCCCCCCCCOC(=O)CC(N)C(=O)O |
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| InChI Key | QHAGDZCARZJNQA-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidfatty acid esterorganic oxideorganic oxygen compoundcarboxylic acid esteraspartic acid or derivativesorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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