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CHEBI:170603 - PE(22:4(7Z,10Z,13Z,16Z)/P-16:0)

ChEBI IDCHEBI:170603
ChEBI NamePE(22:4(7Z,10Z,13Z,16Z)/P-16:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H78NO7P
Net Charge0
Average Mass752.071
Monoisotopic Mass751.55159
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O/C=C\CCCCCCCCCCCCCC
InChIInChI=1S/C43H78NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,24,26,35,38,42H,3-10,12,14-16,18,20,23,25,27-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,19-17-,22-21-,26-24-,38-35-/t42-/m1/s1
InChIKeyCBTPUGMCCOFLJT-LNCIMUPZSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
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(22:4(7Z,10Z,13Z,16Z)/P-16:0) (CHEBI:170603) is a glycerophosphoethanolamine (CHEBI:36314)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-hexadec-1-enoxy]propyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Manual XrefsDatabases
HMDB0009609HMDB
24769053ChemSpider