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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:benzoin
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Accession:CHEBI:17682 term browser browse the term
Definition:A ketone that consists of acetophenone bearing hydroxy and phenyl substituents at the alpha-position. The parent of the class of benzoins.
Synonyms:related_synonym: 2-Hydroxy-1,2-diphenylethanone;   2-Hydroxy-2-phenylacetophenone;   Benzoylphenylcarbinol;   Formula=C14H12O2;   Hydroxy-2-phenyl acetophenone;   InChI=1S/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H;   InChIKey=ISAOCJYIOMOJEB-UHFFFAOYSA-N;   PhCH(OH)COPh;   PhCOCH(OH)Ph;   Phenylbenzoyl carbinol;   SMILES=OC(C(=O)c1ccccc1)c1ccccc1;   alpha-Hydroxy-alpha-phenylacetophenone;   phenyl-alpha-hydroxybenzyl ketone
 alt_id: CHEBI:13880;   CHEBI:22724;   CHEBI:3031
 xref: Beilstein:391839;   CAS:119-53-9;   Drug_Central:4663;   HMDB:HMDB0032039;   KEGG:C01408;   PMID:15828829;   PMID:16107154;   PMID:17399985;   Reaxys:391839;   Wikipedia:Benzoin


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19785
    role 19732
      biological role 19732
        inhibitor 18221
          enzyme inhibitor 18148
            EC 3.* (hydrolase) inhibitor 17643
              EC 3.1.* (ester hydrolase) inhibitor 12872
                EC 3.1.1.* (carboxylic ester hydrolase) inhibitor 8647
                  EC 3.1.1.1 (carboxylesterase) inhibitor 1671
                    benzoin 0
                      (R)-benzoin 0
                      (S)-benzoin 0
                      3-propylmalate(2-) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19785
    subatomic particle 19782
      composite particle 19782
        hadron 19782
          baryon 19782
            nucleon 19782
              atomic nucleus 19782
                atom 19782
                  main group element atom 19670
                    p-block element atom 19670
                      carbon group element atom 19572
                        carbon atom 19561
                          organic molecular entity 19561
                            organic group 18493
                              organic divalent group 18486
                                organodiyl group 18486
                                  carbonyl group 18389
                                    carbonyl compound 18389
                                      ketone 16140
                                        oxyketone 8629
                                          alpha-oxyketone 8629
                                            alpha-hydroxy ketone 8629
                                              secondary alpha-hydroxy ketone 879
                                                benzoin 0
                                                  (R)-benzoin 0
                                                  (S)-benzoin 0
                                                  3-propylmalate(2-) 0
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