| Record Information |
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| HMDB Status | quantified |
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| Creation Date | 2024-02-20 23:34:59 UTC |
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| Update Date | 2025-03-21 17:56:49 UTC |
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| HMDB ID | HMDB0003771 |
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| Metabolite Identification |
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| DeepMet ID | DMID00003818 |
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| Name | 2-Methylacetoacetic acid |
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| Frequency | 1510.0 |
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| Structure | |
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| Chemical Formula | C5H8O3 |
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| Molecular Mass | 116.0473 |
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| SMILES | CC(=O)C(C)C(=O)O |
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| InChI Key | GCXJINGJZAOJHR-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 | keto acids and derivatives |
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| Subclass | short-chain keto acids and derivatives |
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| Direct Parent | short-chain keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsfatty acylshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidshort-chain keto acidcarboxylic acid derivativebranched fatty acidbeta-keto acidketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivative1,3-dicarbonyl compoundorganooxygen compound |
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