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CHEBI:184570 - N-(17-hydroxy-9,12-octadecadienoyl)-glutamine

ChEBI IDCHEBI:184570
ChEBI NameN-(17-hydroxy-9,12-octadecadienoyl)-glutamine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H40N2O5
Net Charge0
Average Mass424.582
Monoisotopic Mass424.29372
SMILESCC(O)CCC/C=C\C/C=C\CCCCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C23H40N2O5/c1-19(26)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-22(28)25-20(23(29)30)17-18-21(24)27/h2-3,7,9,19-20,26H,4-6,8,10-18H2,1H3,(H2,24,27)(H,25,28)(H,29,30)/b3-2-,9-7-/t19?,20-/m0/s1
InChIKeyJPDHHIDMPUIHBY-YHIZTDPQSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
N-(17-hydroxy-9,12-octadecadienoyl)-glutamine (CHEBI:184570) is a glutamine derivative (CHEBI:70813)
IUPAC Name 
(2S)-5-amino-2-[[(9Z,12Z)-17-hydroxyoctadeca-9,12-dienoyl]amino]-5-oxopentanoic acid
Manual XrefsDatabases
LMFA08020215LIPID MAPS
113371133ChemSpider