CHEBI:82101 - Kelevan

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ChEBI Name Kelevan
ChEBI ID CHEBI:82101
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C17H12Cl10O4
Net Charge 0
Average Mass 634.80500
Monoisotopic Mass 629.76209
InChI InChI=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
InChIKey POSKOXIJDWDKPH-UHFFFAOYSA-N
SMILES CCOC(=O)CCC(=O)CC1(O)C2(Cl)C3(Cl)C4(Cl)C5(Cl)C(Cl)(C2(Cl)C3(Cl)C5(Cl)Cl)C14Cl
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing Kelevan (CHEBI:82101) is a oxo carboxylic acid (CHEBI:25754)
Manual Xrefs Databases
1599 PPDB
C18962 KEGG COMPOUND
View more database links
Registry Number Type Source
4234-79-1 CAS Registry Number KEGG COMPOUND