EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:182903 - Bonactin

Default Structure
ChEBI IDCHEBI:182903
ChEBI NameBonactin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H36O7
Net Charge0
Average Mass400.512
Monoisotopic Mass400.24610
SMILESCCC(O)CC1CCC(C(C)C(=O)OC(C)CC2CCC(C(C)C(=O)O)O2)O1
InChIInChI=1S/C21H36O7/c1-5-15(22)11-17-7-9-19(28-17)14(4)21(25)26-12(2)10-16-6-8-18(27-16)13(3)20(23)24/h12-19,22H,5-11H2,1-4H3,(H,23,24)
InChIKeyJZCRGJSEBZCNAR-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)
Bonactin (CHEBI:182903) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name 
2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid
Manual XrefsDatabases
9916425ChemSpider