EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:228077 - Irpexlacte D

ChEBI IDCHEBI:228077
ChEBI NameIrpexlacte D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16O4
Net Charge0
Average Mass224.256
Monoisotopic Mass224.10486
SMILESCC(=O)CCCc1ccc(C(=O)[C@H](C)O)o1
InChIInChI=1S/C12H16O4/c1-8(13)4-3-5-10-6-7-11(16-10)12(15)9(2)14/h6-7,9,14H,3-5H2,1-2H3/t9-/m0/s1
InChIKeyCJYSXSUPBIDSPE-VIFPVBQESA-N
Species of MetaboliteComponentSourceComments
Irpex (ncbitaxon:5318) - DOI (10.1016/j.phytol.2019.06.001)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Irpexlacte D (CHEBI:228077) is a heterocyclic fatty acid (CHEBI:48847)
IUPAC Name 
5-[5-[(2S)-2-hydroxypropanoyl]uran-2-yl]pentan-2-one