CHEBI:17682 - benzoin

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ChEBI Name benzoin
ChEBI ID CHEBI:17682
Definition A ketone that consists of acetophenone bearing hydroxy and phenyl substituents at the α-position. The parent of the class of benzoins.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:3031, CHEBI:13880, CHEBI:22724
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Formula C14H12O2
Net Charge 0
Average Mass 212.24388
Monoisotopic Mass 212.084
InChI 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
SMILES OC(C(=O)c1ccccc1)c1ccccc1
Roles Classification
Biological Role(s): EC 3.1.1.1 (carboxylesterase) inhibitor
Any EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that inhibits the action of carboxylesterase (EC 3.1.1.1 ).
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ChEBI Ontology
Outgoing benzoin (CHEBI:17682) has role EC 3.1.1.1 (carboxylesterase) inhibitor (CHEBI:78444)
benzoin (CHEBI:17682) is a benzoins (CHEBI:51586)
benzoin (CHEBI:17682) is a secondary α-hydroxy ketone (CHEBI:2468)
Incoming 3-propylmalate(2−) (CHEBI:15594) has functional parent benzoin (CHEBI:17682)
(R)-benzoin (CHEBI:51509) is a benzoin (CHEBI:17682)
(S)-benzoin (CHEBI:51510) is a benzoin (CHEBI:17682)
IUPAC Name
2-hydroxy-1,2-diphenylethanone
Synonyms Sources
2-hydroxy-1,2-diphenylethanone ChEBI
2-Hydroxy-1,2-diphenylethanone KEGG COMPOUND
2-Hydroxy-2-phenylacetophenone ChemIDplus
α-hydroxy-α-phenylacetophenone NIST Chemistry WebBook
alpha-Hydroxy-alpha-phenylacetophenone ChemIDplus
alpha-Hydroxybenzyl phenyl ketone ChemIDplus
Benzoin KEGG COMPOUND
benzoin UniProt
Benzoylphenylcarbinol ChemIDplus
Hydroxy-2-phenyl acetophenone NIST Chemistry WebBook
PhCH(OH)COPh ChEBI
PhCOCH(OH)Ph ChEBI
phenyl-α-hydroxybenzyl ketone NIST Chemistry WebBook
Phenyl-alpha-hydroxybenzyl ketone ChemIDplus
Phenylbenzoyl carbinol ChemIDplus
Manual Xrefs Databases
4663 DrugCentral
Benzoin Wikipedia
C01408 KEGG COMPOUND
HMDB0032039 HMDB
View more database links
Registry Numbers Types Sources
119-53-9 CAS Registry Number KEGG COMPOUND
119-53-9 CAS Registry Number NIST Chemistry WebBook
119-53-9 CAS Registry Number ChemIDplus
391839 Beilstein Registry Number ChemIDplus
391839 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
15828829 PubMed citation Europe PMC
16107154 PubMed citation Europe PMC
17399985 PubMed citation Europe PMC
Last Modified
06 February 2018