CHEBI:32987 - kekulene

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name kekulene
ChEBI ID CHEBI:32987
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C48H24
Net Charge 0
Average Mass 600.70416
Monoisotopic Mass 600.188
InChI InChI=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
InChIKey TYPKKLUFDMGLAC-UHFFFAOYSA-N
SMILES c1cc2cc3ccc4cc5ccc6cc7ccc8cc9ccc%10cc%11ccc%12cc1c1cc%12c%11cc%10c9cc8c7cc6c5cc4c3cc21
Roles Classification
Biological Role(s): 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.
(via polycyclic arene )
Application(s): endocrine disruptor
Any compound that can disrupt the functions of the endocrine (hormone) system
(via polycyclic arene )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing kekulene (CHEBI:32987) is a ortho- and peri-fused polycyclic arene (CHEBI:35300)
Synonym Source
[12]kekulene ChEBI
Registry Number Type Source
2198243 Beilstein Registry Number Beilstein
Last Modified
17 April 2008