CHEBI:51399 - circumcircumpyrene

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ChEBI Name circumcircumpyrene
ChEBI ID CHEBI:51399
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C80H22
Net Charge 0
Average Mass 983.03068
Monoisotopic Mass 982.17215
InChI InChI=1S/C80H22/c1-5-27-15-35-19-31-9-10-32-21-37-17-29-7-3-25-14-26-4-8-30-18-38-22-34-12-11-33-20-36-16-28-6-2-24-13-23(1)39-43(27)57-51(35)61-47(31)48(32)63-53(37)59-45(29)41(25)56-42(26)46(30)60-54(38)64-50(34)49(33)62-52(36)58-44(28)40(24)55(39)65-67(57)75-71(61)73(63)77-69(59)66(56)70(60)78-74(64)72(62)76(68(58)65)79(75)80(77)78/h1-22H
InChIKey NGMKMSWTTZJHFL-UHFFFAOYSA-N
SMILES c1cc2cc3cc4ccc5cc6cc7ccc8cc9ccc%10cc%11cc%12ccc%13cc%14cc%15ccc%16cc1c1c2c2c3c3c4c5c4c6c5c7c8c6c9c%10c7c%11c8c%12c%13c9c%14c%10c%15c%16c1c1c2c2c3c4c3c5c6c7c4c8c9c(c%101)c2c34
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 circumcircumpyrene (CHEBI:51399) is a ortho- and peri-fused polycyclic arene (CHEBI:35300)
Last Modified
17 January 2009