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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-3-methylhexanoic acid
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Accession:CHEBI:143885 term browser browse the term
Definition:A 3-hydroxy monocarboxylic acid that is hexanoic acid substituted by a hydroxy group and a methyl group at position 3. It is a metabolite found in human sweat.
Synonyms:related_synonym: 3-hydroxy-3-methylcaproic acid;   Formula=C7H14O3;   InChI=1S/C7H14O3/c1-3-4-7(2,10)5-6(8)9/h10H,3-5H2,1-2H3,(H,8,9);   InChIKey=RGRNSTGIHROKJB-UHFFFAOYSA-N;   SMILES=CCCC(CC(O)=O)(O)C
 xref: CAS:58888-76-9;   PMID:12468539;   PMID:17191839;   PMID:17193210;   PMID:18492161;   PMID:19147808;   PMID:26840760
 cyclic_relationship: is_conjugate_acid_of CHEBI:143555


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Term Annotations click to browse term
  CHEBI ontology 499
    chemical entity 499
      molecular entity 499
        polyatomic entity 492
          molecule 473
            organic molecule 471
              volatile organic compound 61
                3-hydroxy-3-methylhexanoic acid 0
                  N(2)-(3-hydroxy-3-methylhexanoyl)-L-glutamine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 499
    subatomic particle 499
      composite particle 499
        hadron 499
          baryon 499
            nucleon 499
              atomic nucleus 499
                atom 499
                  main group element atom 492
                    p-block element atom 492
                      carbon group element atom 481
                        carbon atom 480
                          organic molecular entity 480
                            heteroorganic entity 476
                              organochalcogen compound 430
                                organooxygen compound 428
                                  carbon oxoacid 368
                                    carboxylic acid 368
                                      hydroxy carboxylic acid 5
                                        hydroxy monocarboxylic acid 5
                                          3-hydroxy monocarboxylic acid 2
                                            3-hydroxy-3-methylhexanoic acid 0
                                              N(2)-(3-hydroxy-3-methylhexanoyl)-L-glutamine 0
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