EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:210510 - 6-Ketostearoyldrim

ChEBI IDCHEBI:210510
ChEBI Name6-Ketostearoyldrim
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H58O3
Net Charge0
Average Mass502.824
Monoisotopic Mass502.43860
SMILESCCCCCCCCCCCCC(=O)CCCCC(=O)OC[C@H]1C(C)=CCC2C(C)(C)CCC[C@@]21C
InChIInChI=1S/C33H58O3/c1-6-7-8-9-10-11-12-13-14-15-19-28(34)20-16-17-21-31(35)36-26-29-27(2)22-23-30-32(3,4)24-18-25-33(29,30)5/h22,29-30H,6-21,23-26H2,1-5H3/t29-,30?,33+/m0/s1
InChIKeyIDEOKXRBQCNLQH-CGAUKSQNSA-N
Species of MetaboliteComponentSourceComments
Lactarius uvidus (ncbitaxon:152949) - PubMed (7964786)
ChEBI Ontology
Outgoing Relation(s)
6-Ketostearoyldrim (CHEBI:210510) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
[(1S,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl 6-oxooctadecanoate
Manual XrefsDatabases
78441947ChemSpider