9-(2-carboxyethyl)-10-methylanthracene endoperoxide (CHEBI:44592)

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ChEBI Name	9-(2-carboxyethyl)-10-methylanthracene endoperoxide

ChEBI ID	CHEBI:44592

Definition	A peroxide-bridged anthracene substituted at the bridgeheads with methyl and carboxyethyl groups.

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

Supplier Information

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Formula

C18H16O4

Net Charge

Average Mass

296.31720

Monoisotopic Mass

296.10486

InChI

InChI=1S/C18H16O4/c1-17-12-6-2-4-8-14(12)18(22-21-17,11-10-16(19)20)15-9-5-3-7-13(15)17/h2-9H,10-11H2,1H3,(H,19,20)/t17-,18+

InChIKey

IOWYALZFEJOVHO-HDICACEKSA-N

SMILES

C[C@@]12OO[C@@](CCC(O)=O)(c3ccccc13)c1ccccc21

Roles Classification
Chemical Role(s):	oxidising agent A substance that removes electrons from another reactant in a redox reaction. (via peroxides ) Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	hapten Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.

ChEBI Ontology
Outgoing	9-(2-carboxyethyl)-10-methylanthracene endoperoxide (CHEBI:44592) has role hapten (CHEBI:59174) 9-(2-carboxyethyl)-10-methylanthracene endoperoxide (CHEBI:44592) is a anthracenes (CHEBI:46955) 9-(2-carboxyethyl)-10-methylanthracene endoperoxide (CHEBI:44592) is a monocarboxylic acid (CHEBI:25384) 9-(2-carboxyethyl)-10-methylanthracene endoperoxide (CHEBI:44592) is a organic peroxide (CHEBI:25702)

IUPAC Name

3-(10-methyl-9,10-epidioxyanthracen-9(10H)-yl)propanoic acid

Synonym	Source
[2'-CARBOXYLETHYL]-10-METHYL-ANTHRACENE ENDOPEROXIDE	PDBeChem

Citation	Type	Source
12093912	PubMed citation	Europe PMC

Last Modified

20 February 2013