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CHEBI:230285 - N-Eicosapentaenoyl Alanine

ChEBI IDCHEBI:230285
ChEBI NameN-Eicosapentaenoyl Alanine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H35NO3
Net Charge0
Average Mass373.537
Monoisotopic Mass373.26169
SMILESCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)NC(C)C(=O)O
InChIInChI=1S/C23H35NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(25)24-21(2)23(26)27/h4-5,7-8,10-11,13-14,16-17,21H,3,6,9,12,15,18-20H2,1-2H3,(H,24,25)(H,26,27)/b5-4+,8-7+,11-10+,14-13+,17-16+
InChIKeyKOVJQSKMGZBKPQ-ZACMJQCDSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
N-Eicosapentaenoyl Alanine (CHEBI:230285) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
2-[[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]amino]propanoic acid
Manual XrefsDatabases
128530282ChemSpider