| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:01 UTC |
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| Update Date | 2025-03-25 00:55:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02212992 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H41NO4 |
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| Molecular Mass | 383.3036 |
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| SMILES | CCCCCCCCC=CCCCCCCCC(=O)NC(CO)CC(=O)O |
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| InChI Key | SQMFQYRUTRATOJ-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivatives |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidfatty amidecarboxamide groupn-acyl-aminebeta amino acid or derivativessecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundprimary alcoholorganooxygen compound |
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