EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:82106 - Butonate

ChEBI IDCHEBI:82106
ChEBI NameButonate
Stars
Last Modified26 August 2015
DownloadsMolfile
FormulaC8H14Cl3O5P
Net Charge0
Average Mass327.528
Monoisotopic Mass325.96444
SMILESCCCC(=O)OC(C(Cl)(Cl)Cl)P(=O)(OC)OC
InChIInChI=1S/C8H14Cl3O5P/c1-4-5-6(12)16-7(8(9,10)11)17(13,14-2)15-3/h7H,4-5H2,1-3H3
InChIKeyBKAQXYNWONVOAX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Butonate (CHEBI:82106) is a butyrate ester (CHEBI:50477)
Butonate (CHEBI:82106) is a fatty acid ester (CHEBI:35748)
Manual XrefsDatabases
D03194KEGG DRUG
C18967KEGG COMPOUND
1674PPDB
Registry NumbersSources
CAS:126-22-7KEGG COMPOUND