EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:81540 - trans-Nonachlor

ChEBI IDCHEBI:81540
ChEBI Nametrans-Nonachlor
Stars
Last Modified23 October 2015
DownloadsMolfile
FormulaC10H5Cl9
Net Charge0
Average Mass444.227
Monoisotopic Mass439.75880
SMILES[H][C@]12[C@H](Cl)C(Cl)[C@H](Cl)[C@@]1([H])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl
InChIInChI=1S/C10H5Cl9/c11-3-1-2(4(12)5(3)13)9(17)7(15)6(14)8(1,16)10(9,18)19/h1-5H/t1-,2+,3+,4-,5?,8+,9-
InChIKeyOCHOKXCPKDPNQU-FLVMBEMLSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood (UBERON:0000178) Article (Report on Human Biomonitoring of Environmental Chemicals in Canada (2010). ISBN 978-1-100-15618-7. Cat no. H128-1/10-601E)
ChEBI Ontology
Outgoing Relation(s)
trans-Nonachlor (CHEBI:81540) is a organochlorine compound (CHEBI:36683)
Synonym  Source
(1R,2S,3R,4R,5S,6R,7S)-1,3,4,5,7,8,9,10,10-nonachlorotricyclo[5.2.1.0²,⁶]dec-8-eneHMDB
Manual XrefsDatabases
C18145KEGG COMPOUND
HMDB0059570HMDB
Registry NumbersSources
CAS:39765-80-5KEGG COMPOUND
Citations