1,7,8,9,10,10-hexachloro-4-methyl-4-azatricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione (CHEBI:47397)

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ChEBI Name	1,7,8,9,10,10-hexachloro-4-methyl-4-azatricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione

ChEBI ID	CHEBI:47397

Definition	An organic heterotricyclic compound arising from formal [4+2]-cycloaddition of hexachlorocyclopentadiene to N-methylmaleimide.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C10H5Cl6NO2

Net Charge

Average Mass

383.87000

Monoisotopic Mass

380.84514

InChI

InChI=1S/C10H5Cl6NO2/c1-17-6(18)2-3(7(17)19)9(14)5(12)4(11)8(2,13)10(9,15)16/h2-3H,1H3/t2-,3+,8+,9-

InChIKey

DKILHSLDAKXHHE-ASQNABRVSA-N

SMILES

[H][C@]12C(=O)N(C)C(=O)[C@@]1([H])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl

Roles Classification
Biological Role(s):	epitope The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.

ChEBI Ontology
Outgoing	1,7,8,9,10,10-hexachloro-4-methyl-4-azatricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione (CHEBI:47397) has functional parent succinimide (CHEBI:9307) 1,7,8,9,10,10-hexachloro-4-methyl-4-azatricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione (CHEBI:47397) has role epitope (CHEBI:53000) 1,7,8,9,10,10-hexachloro-4-methyl-4-azatricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione (CHEBI:47397) is a bridged compound (CHEBI:35990) 1,7,8,9,10,10-hexachloro-4-methyl-4-azatricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione (CHEBI:47397) is a organic heterotricyclic compound (CHEBI:26979) 1,7,8,9,10,10-hexachloro-4-methyl-4-azatricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione (CHEBI:47397) is a organochlorine compound (CHEBI:36683)

IUPAC Name

(3aR,4S,7R,7aS)-4,5,6,7,8,8-hexachloro-2-methyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione

Citation	Type	Source
10600746	PubMed citation	Europe PMC

Last Modified

11 January 2017