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CHEBI:231091 - N-Eicosapentaenoyl Threonine

ChEBI IDCHEBI:231091
ChEBI NameN-Eicosapentaenoyl Threonine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H37NO4
Net Charge0
Average Mass403.563
Monoisotopic Mass403.27226
SMILESCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)NC(C(=O)O)C(C)O
InChIInChI=1S/C24H37NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(27)25-23(21(2)26)24(28)29/h4-5,7-8,10-11,13-14,16-17,21,23,26H,3,6,9,12,15,18-20H2,1-2H3,(H,25,27)(H,28,29)/b5-4+,8-7+,11-10+,14-13+,17-16+
InChIKeyMXCKXZGSPCHJNK-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 Threonine (CHEBI:231091) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
3-hydroxy-2-[[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]amino]butanoic acid
Manual XrefsDatabases
128530298ChemSpider