(Z)-3-(4-iodophenyl)-2-mercaptoacrylic acid (CHEBI:130910)

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ChEBI Name	(Z)-3-(4-iodophenyl)-2-mercaptoacrylic acid

ChEBI ID	CHEBI:130910

ChEBI ASCII Name	(Z)-3-(4-iodophenyl)-2-mercaptoacrylic acid

Definition	An organoiodine compound that is acrylic acid in which the vinylic hydrogens at positions 2 and 3 are replaced by mercapto and 4-iodophenyl groups respectively (the Z geoisomer).

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C9H7IO2S

Net Charge

Average Mass

306.122

Monoisotopic Mass

305.92115

InChI

InChI=1S/C9H7IO2S/c10-7-3-1-6(2-4-7)5-8(13)9(11)12/h1-5,13H,(H,11,12)/b8-5-

InChIKey

DJCVSFWGKYHMKH-YVMONPNESA-N

SMILES

C(/C(=C/C1=CC=C(C=C1)I)/S)(O)=O

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	calpain inhibitor An EC 3.4.22.* (cysteine endopeptidase) inhibitor that interferes with the action of any calpain. apoptosis inhibitor Any substance that inhibits the process of apoptosis (programmed cell death) in multi-celled organisms.

ChEBI Ontology
Outgoing	(Z)-3-(4-iodophenyl)-2-mercaptoacrylic acid (CHEBI:130910) has functional parent trans-cinnamic acid (CHEBI:35697) (Z)-3-(4-iodophenyl)-2-mercaptoacrylic acid (CHEBI:130910) has role apoptosis inhibitor (CHEBI:68494) (Z)-3-(4-iodophenyl)-2-mercaptoacrylic acid (CHEBI:130910) has role calpain inhibitor (CHEBI:82824) (Z)-3-(4-iodophenyl)-2-mercaptoacrylic acid (CHEBI:130910) is a cinnamic acids (CHEBI:23252) (Z)-3-(4-iodophenyl)-2-mercaptoacrylic acid (CHEBI:130910) is a organoiodine compound (CHEBI:37142) (Z)-3-(4-iodophenyl)-2-mercaptoacrylic acid (CHEBI:130910) is a thioenol (CHEBI:59722)

IUPAC Name

(2Z )-3-(4-iodophenyl)-2-sulfanylprop-2-enoic acid

Synonyms	Sources
3-(4-Iodophenyl)-2-mercapto-(Z)-2-propenoic acid	ChemIDplus
4'-iodo-2-mercaptocinnamic acid	ChEBI
PD 150,606	ChEBI
PD 150606	ChEBI
PD-150,606	ChEBI
PD-150606	ChemIDplus
PD150606	ChEBI

Last Modified

20 April 2016