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CHEBI:169822 - N-(9,12-octadecadienoyl)-glutamine

ChEBI IDCHEBI:169822
ChEBI NameN-(9,12-octadecadienoyl)-glutamine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H40N2O4
Net Charge0
Average Mass408.583
Monoisotopic Mass408.29881
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C23H40N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)25-20(23(28)29)18-19-21(24)26/h6-7,9-10,20H,2-5,8,11-19H2,1H3,(H2,24,26)(H,25,27)(H,28,29)/b7-6-,10-9-/t20-/m0/s1
InChIKeyHDRFYISWHFCNJB-GSNKCQISSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
N-(9,12-octadecadienoyl)-glutamine (CHEBI:169822) is a glutamine derivative (CHEBI:70813)
IUPAC Name 
(2S)-5-amino-2-[[(9Z,12Z)-octadeca-9,12-dienoyl]amino]-5-oxopentanoic acid
Manual XrefsDatabases
LMFA08020216LIPID MAPS
67166067ChemSpider