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CHEBI:230187 - N-Eicosapentaenoyl Histidine

ChEBI IDCHEBI:230187
ChEBI NameN-Eicosapentaenoyl Histidine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H37N3O3
Net Charge0
Average Mass439.600
Monoisotopic Mass439.28349
SMILESCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)NC(Cc1cncn1)C(=O)O
InChIInChI=1S/C26H37N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(30)29-24(26(31)32)20-23-21-27-22-28-23/h3-4,6-7,9-10,12-13,15-16,21-22,24H,2,5,8,11,14,17-20H2,1H3,(H,27,28)(H,29,30)(H,31,32)/b4-3+,7-6+,10-9+,13-12+,16-15+
InChIKeyPRYFMWBSVTWRBA-RCHUDCCISA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
N-Eicosapentaenoyl Histidine (CHEBI:230187) is a histidine derivative (CHEBI:24599)
IUPAC Name 
2-[[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
Manual XrefsDatabases
128530290ChemSpider