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CHEBI:184135 - PE(20:3(8Z,11Z,14Z)/18:3(6Z,9Z,12Z))

ChEBI IDCHEBI:184135
ChEBI NamePE(20:3(8Z,11Z,14Z)/18:3(6Z,9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H74NO8P
Net Charge0
Average Mass764.038
Monoisotopic Mass763.51520
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
InChIInChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,26,28,41H,3-10,15-16,20,24-25,27,29-40,44H2,1-2H3,(H,47,48)/b13-11-,14-12-,19-17-,21-18-,23-22-,28-26-/t41-/m1/s1
InChIKeyZQNFRTKEBTVTHP-RXYYQAQXSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) serum (BTO:0001239) MetaboLights (MTBLS3725)
ChEBI Ontology
Outgoing Relation(s)
PE(20:3(8Z,11Z,14Z)/18:3(6Z,9Z,12Z)) (CHEBI:184135) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate
Manual XrefsDatabases
HMDB0009358HMDB
24768809ChemSpider
LMGP02010916LIPID MAPS