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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:3-hydroxy-2,2-dimethylbutyric acid
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Accession:CHEBI:131392 term browser browse the term
Definition:A 3-hydroxy monocarboxylic acid that is 2,2-dimethylbutyric acid carrying a single hydroxy substituent at position 3.
Synonyms:exact_synonym: 3-hydroxy-2,2-dimethylbutanoic acid
 related_synonym: 2,2-Dimethyl-3-hydroxybutanoic acid;   2,2-Dimethyl-3-hydroxybutyric acid;   DMHB;   Formula=C6H12O3;   InChI=1S/C6H12O3/c1-4(7)6(2,3)5(8)9/h4,7H,1-3H3,(H,8,9);   InChIKey=RVWQQCKPTVZHJM-UHFFFAOYSA-N;   SMILES=C(=O)(O)C(C(C)O)(C)C
 xref: CAS:29269-83-8;   Chemspider:134834;   PMID:1814736;   Reaxys:1752724


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            xenobiotic metabolite 78
              human xenobiotic metabolite 38
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                  3-hydroxy-2,2-dimethylbutyric acid 0
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                                    carbonyl compound 313
                                      carboxylic acid 277
                                        hydroxy carboxylic acid 5
                                          hydroxy monocarboxylic acid 5
                                            3-hydroxy monocarboxylic acid 2
                                              3-hydroxy-2,2-dimethylbutyric acid 0
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