EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:183016 - Cer(d18:1(8E)/16:0(2OH[R]))

ChEBI IDCHEBI:183016
ChEBI NameCer(d18:1(8E)/16:0(2OH[R]))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H67NO4
Net Charge0
Average Mass553.913
Monoisotopic Mass553.50701
SMILESCCCCCCCCC/C=C/CCCC[C@@H](O)[C@H](CO)NC(=O)[C@H](O)CCCCCCCCCCCCCC
InChIInChI=1S/C34H67NO4/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-32(37)31(30-36)35-34(39)33(38)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,31-33,36-38H,3-18,21-30H2,1-2H3,(H,35,39)/b20-19+/t31-,32+,33+/m0/s1
InChIKeyYHEYVZJWYNYBFN-BNSIVLFQSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) Esophagus (BTO:0000959) MetaboLights (MTBLS3014)
ChEBI Ontology
Outgoing Relation(s)
Cer(d18:1(8E)/16:0(2OH[R])) (CHEBI:183016) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(2R)-N-[(E,2S,3R)-1,3-dihydroxyoctadec-8-en-2-yl]-2-hydroxyhexadecanamide
Manual XrefsDatabases
LMSP02010099LIPID MAPS
113381155ChemSpider