CHEBI:82106 - Butonate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Butonate
ChEBI ID CHEBI:82106
Stars This entity has been manually annotated by a third party.
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Formula C8H14Cl3O5P
Net Charge 0
Average Mass 327.52700
Monoisotopic Mass 325.96444
InChI InChI=1S/C8H14Cl3O5P/c1-4-5-6(12)16-7(8(9,10)11)17(13,14-2)15-3/h7H,4-5H2,1-3H3
InChIKey BKAQXYNWONVOAX-UHFFFAOYSA-N
SMILES CCCC(=O)OC(C(Cl)(Cl)Cl)P(=O)(OC)OC
ChEBI Ontology
Outgoing Butonate (CHEBI:82106) is a butyrate ester (CHEBI:50477)
Butonate (CHEBI:82106) is a fatty acid ester (CHEBI:35748)
Manual Xrefs Databases
1674 PPDB
C18967 KEGG COMPOUND
D03194 KEGG DRUG
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Registry Number Type Source
126-22-7 CAS Registry Number KEGG COMPOUND
Last Modified
26 August 2015