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CHEBI:51401 - circumpyrene

ChEBI IDCHEBI:51401
ChEBI Namecircumpyrene
Stars
Last Modified16 January 2009
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC42H16
Net Charge0
Average Mass520.590
Monoisotopic Mass520.12520
SMILESc1cc2cc3ccc4cc5ccc6ccc7cc8ccc9cc%10ccc1c1c2c2c3c4c3c5c6c7c4c8c9c(c%101)c2c34
InChIInChI=1S/C42H16/c1-5-19-13-23-9-10-25-15-21-7-3-18-4-8-22-16-26-12-11-24-14-20-6-2-17(1)27-29(19)37-33(23)35(25)39-31(21)28(18)32(22)40-36(26)34(24)38(30(20)27)41(37)42(39)40/h1-16H
InChIKeyQYQKNXGEKCVVCL-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)
circumpyrene (CHEBI:51401) is a ortho- and peri-fused polycyclic arene (CHEBI:35300)
IUPAC Name 
dinaphtho[2,1,8,7-hijk:2',1',8',7'-stuv]ovalene
Registry NumbersSources
Gmelin:2653102Gmelin
Beilstein:6453338Beilstein