EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:205473 - Paecilonic acid B

ChEBI IDCHEBI:205473
ChEBI NamePaecilonic acid B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H44O5
Net Charge0
Average Mass412.611
Monoisotopic Mass412.31887
SMILESCCCCCCCCCCCC[C@@]12O[C@@H](CC[C@H]1O)[C@@H](CCCCCC(=O)O)O2
InChIInChI=1S/C24H44O5/c1-2-3-4-5-6-7-8-9-10-14-19-24-22(25)18-17-21(29-24)20(28-24)15-12-11-13-16-23(26)27/h20-22,25H,2-19H2,1H3,(H,26,27)/t20-,21+,22-,24-/m1/s1
InChIKeyLHIHPWQSBJXWDE-JTOYRKQZSA-N
Species of MetaboliteComponentSourceComments
Paecilomyces variotii (ncbitaxon:264951) - PubMed (27009897)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Paecilonic acid B (CHEBI:205473) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
6-[(1S,4R,5R,7R)-5-dodecyl-4-hydroxy-6,8-dioxabicyclo[3.2.1]octan-7-yl]hexanoic acid
Manual XrefsDatabases
58196685ChemSpider