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CHEBI:170628 - PE(20:3(5Z,8Z,11Z)/18:1(11Z))

ChEBI IDCHEBI:170628
ChEBI NamePE(20:3(5Z,8Z,11Z)/18:1(11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H78NO8P
Net Charge0
Average Mass768.070
Monoisotopic Mass767.54651
SMILESCCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COP(=O)(O)OCCN
InChIInChI=1S/C43H78NO8P/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/h14,16-17,19,22-23,27,29,41H,3-13,15,18,20-21,24-26,28,30-40,44H2,1-2H3,(H,47,48)/b16-14-,19-17-,23-22-,29-27-/t41-/m1/s1
InChIKeyHEZIDBZRKDQQLI-HAPPWYIRSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
PE(20:3(5Z,8Z,11Z)/18:1(11Z)) (CHEBI:170628) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-11-enoyl]oxypropyl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate
Manual XrefsDatabases
HMDB0009322HMDB
24768773ChemSpider