EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:230157 - N-Eicosapentaenoyl Tyrosine

ChEBI IDCHEBI:230157
ChEBI NameN-Eicosapentaenoyl Tyrosine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H39NO4
Net Charge0
Average Mass465.634
Monoisotopic Mass465.28791
SMILESCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)NC(Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C29H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(32)30-27(29(33)34)24-25-20-22-26(31)23-21-25/h3-4,6-7,9-10,12-13,15-16,20-23,27,31H,2,5,8,11,14,17-19,24H2,1H3,(H,30,32)(H,33,34)/b4-3+,7-6+,10-9+,13-12+,16-15+
InChIKeyUPULPUGMUYYOIO-RCHUDCCISA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
N-Eicosapentaenoyl Tyrosine (CHEBI:230157) is a tyrosine derivative (CHEBI:62761)
IUPAC Name 
3-(4-hydroxyphenyl)-2-[[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]amino]propanoic acid
Manual XrefsDatabases
128530300ChemSpider