Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
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
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C48H24
Net Charge
0
Average Mass
600.70416
Monoisotopic Mass
600.18780
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