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

ChEBI IDCHEBI:44592
ChEBI Name9-(2-carboxyethyl)-10-methylanthracene endoperoxide
Stars
DefinitionA peroxide-bridged anthracene substituted at the bridgeheads with methyl and carboxyethyl groups.
Last Modified20 February 2013
DownloadsMolfile
FormulaC18H16O4
Net Charge0
Average Mass296.322
Monoisotopic Mass296.10486
SMILESC[C@]12OO[C@](CCC(=O)O)(c3ccccc31)c1ccccc12
InChIInChI=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+
InChIKeyIOWYALZFEJOVHO-HDICACEKSA-N
Roles Classification
Chemical Roles:
oxidising agent  A substance that removes electrons from another reactant in a redox reaction.
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
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 Relation(s)
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 ENDOPEROXIDEPDBeChem
Manual XrefsDatabases
OX1PDBeChem
1LO2PDB
Citations