| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:53 UTC |
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| Update Date | 2025-03-25 00:46:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153213 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13NO5 |
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| Molecular Mass | 215.0794 |
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| SMILES | NC(=O)CCC=C(CCC(=O)O)C(=O)O |
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| InChI Key | YNKOHJIOPFSAPK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | medium-chain fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | amino fatty acidsbranched fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty amideshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidesunsaturated fatty acids |
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| Substituents | primary carboxylic acid amidealiphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amidecarboxamide groupcarboxylic acid derivativeamino fatty acidbranched fatty acidunsaturated fatty acidorganic oxideorganic oxygen compoundorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativemedium-chain fatty acidorganic nitrogen compoundorganooxygen compound |
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