benzoin (CHEBI:17682)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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

Supplier Information

Download	Molfile XML SDF

Wikipedia	License

Read full article at Wikipedia

Formula

C14H12O2

Net Charge

Average Mass

212.24388

Monoisotopic Mass

212.08373

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 ).

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	(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

Last Modified

06 February 2018