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CHEBI:32987 - kekulene

ChEBI IDCHEBI:32987
ChEBI Namekekulene
Stars
Last Modified17 April 2008
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC48H24
Net Charge0
Average Mass600.720
Monoisotopic Mass600.18780
SMILESc1cc2cc3ccc4cc5ccc6cc7ccc8cc9ccc%10cc%11ccc%12cc1c1cc%12c%11cc%10c9cc8c7cc6c5cc4c3cc21
InChIInChI=1S/C48H24/c1-2-26-14-28-5-6-30-16-32-9-10-34-18-36-12-11-35-17-33-8-7-31-15-29-4-3-27-13-25(1)37-19-39(27)41(29)21-43(31)45(33)23-47(35)48(36)24-46(34)44(32)22-42(30)40(28)20-38(26)37/h1-24H
InChIKeyTYPKKLUFDMGLAC-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)
kekulene (CHEBI:32987) is a ortho- and peri-fused polycyclic arene (CHEBI:35300)
Synonym  Source
[12]kekuleneChEBI
Registry NumbersSources
Beilstein:2198243Beilstein