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CHEBI:170614 - PE(20:3(5Z,8Z,11Z)/P-18:1(11Z))

ChEBI IDCHEBI:170614
ChEBI NamePE(20:3(5Z,8Z,11Z)/P-18:1(11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H78NO7P
Net Charge0
Average Mass752.071
Monoisotopic Mass751.55159
SMILESCCCCCC/C=C\CCCCCCCC/C=C\O[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COP(=O)(O)OCCN
InChIInChI=1S/C43H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h14,16-17,19,22,24,28,30,35,38,42H,3-13,15,18,20-21,23,25-27,29,31-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b16-14-,19-17-,24-22-,30-28-,38-35-/t42-/m1/s1
InChIKeySSRFBEKXNQSNLN-PWQUOMSQSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) 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)/P-18:1(11Z)) (CHEBI:170614) is a glycerophosphoethanolamine (CHEBI:36314)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(1Z,11Z)-octadeca-1,11-dienoxy]propyl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate
Manual XrefsDatabases
24768798ChemSpider
HMDB0009347HMDB