| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-21 00:21:35 UTC |
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| Update Date | 2025-03-21 18:37:08 UTC |
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| HMDB ID | HMDB0031557 |
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| Metabolite Identification |
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| DeepMet ID | DMID00114176 |
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| Name | 4-Methyloctanoic acid |
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| Frequency | 23.1 |
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| Structure | |
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| Chemical Formula | C9H18O2 |
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| Molecular Mass | 158.1307 |
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| SMILES | CCCCC(C)CCC(=O)O |
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| InChI Key | LEGGANXCVQPIAI-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 | carbonyl compoundscarboxylic acidshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidcarboxylic acid derivativebranched fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativemedium-chain fatty acidorganooxygen compound |
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