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CHEBI:82101 - Kelevan

ChEBI IDCHEBI:82101
ChEBI NameKelevan
Stars
DownloadsMolfile
FormulaC17H12Cl10O4
Net Charge0
Average Mass634.809
Monoisotopic Mass629.76209
SMILESCCOC(=O)CCC(=O)CC1(O)C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C42Cl
InChIInChI=1S/C17H12Cl10O4/c1-2-31-7(29)4-3-6(28)5-8(30)9(18)11(20)13(22)10(8,19)14(23)12(9,21)15(11,24)17(26,27)16(13,14)25/h30H,2-5H2,1H3
InChIKeyPOSKOXIJDWDKPH-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Kelevan (CHEBI:82101) is a oxo carboxylic acid (CHEBI:25754)
Manual XrefsDatabases
C18962KEGG COMPOUND
1599PPDB
Registry NumbersSources
CAS:4234-79-1KEGG COMPOUND