CHEBI:81540 - trans-Nonachlor

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name trans-Nonachlor
ChEBI ID CHEBI:81540
Stars This entity has been manually annotated by a third party.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C10H5Cl9
Net Charge 0
Average Mass 444.22400
Monoisotopic Mass 439.75880
InChI InChI=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-
InChIKey OCHOKXCPKDPNQU-FLVMBEMLSA-N
SMILES ClC1[C@H](Cl)[C@@H]2[C@H]([C@@H]1Cl)[C@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood (UBERON:0000178). See: 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 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-ene HMDB
Manual Xrefs Databases
C18145 KEGG COMPOUND
HMDB0059570 HMDB
View more database links
Registry Number Type Source
39765-80-5 CAS Registry Number KEGG COMPOUND
Citation
Last Modified
23 October 2015