EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:231134 - N-[2-(3,4-Dihydroxyphenyl)ethyl]icosa-5,8,11,14-tetraenamide

ChEBI IDCHEBI:231134
ChEBI NameN-[2-(3,4-Dihydroxyphenyl)ethyl]icosa-5,8,11,14-tetraenamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H41NO3
Net Charge0
Average Mass439.640
Monoisotopic Mass439.30864
SMILESCCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)NCCc1ccc(O)c(O)c1
InChIInChI=1S/C28H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(32)29-23-22-25-20-21-26(30)27(31)24-25/h6-7,9-10,12-13,15-16,20-21,24,30-31H,2-5,8,11,14,17-19,22-23H2,1H3,(H,29,32)/b7-6+,10-9+,13-12+,16-15+
InChIKeyMVVPIAAVGAWJNQ-CGRWFSSPSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
N-[2-(3,4-Dihydroxyphenyl)ethyl]icosa-5,8,11,14-tetraenamide (CHEBI:231134) is a catechols (CHEBI:33566)
IUPAC Name 
(5E,8E,11E,14E)-N-[2-(3,4-dihydroxyphenyl)ethyl]icosa-5,8,11,14-tetraenamide
Manual XrefsDatabases
10767734ChemSpider