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CHEBI:51386 - circumcoronene

ChEBI IDCHEBI:51386
ChEBI Namecircumcoronene
Stars
Last Modified17 January 2009
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC54H18
Net Charge0
Average Mass666.738
Monoisotopic Mass666.14085
SMILESc1cc2cc3ccc4cc5ccc6cc7ccc8cc9ccc%10cc%11ccc%12cc1c1c2c2c3c4c3c5c6c4c7c8c5c9c%10c6c%11c%12c1c1c2c3c4c5c61
InChIInChI=1S/C54H18/c1-2-20-14-22-5-6-24-16-26-9-11-29-18-30-12-10-28-17-27-8-7-25-15-23-4-3-21-13-19(1)31-32(20)44-34(22)36(24)46-39(26)41(29)48-42(30)40(28)47-38(27)37(25)45-35(23)33(21)43(31)49-50(44)52(46)54(48)53(47)51(45)49/h1-18H
InChIKeyICKDBJSKNOTKDQ-UHFFFAOYSA-N
Roles Classification
Biological Role:
carcinogenic agent  A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
Application:
endocrine disruptor  Any compound that can disrupt the functions of the endocrine (hormone) system
ChEBI Ontology
Outgoing Relation(s)
circumcoronene (CHEBI:51386) is a ortho- and peri-fused polycyclic arene (CHEBI:35300)
Registry NumbersSources
Beilstein:2495518Beilstein
Gmelin:2653231Gmelin