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CHEBI:188209 - PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/21:0)

ChEBI IDCHEBI:188209
ChEBI NamePE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/21:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H84NO8P
Net Charge0
Average Mass834.173
Monoisotopic Mass833.59346
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C48H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49)57-48(51)41-39-37-35-33-31-29-27-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,28,30,34,36,46H,3-4,6,8-10,12,14-16,18,20-22,24,26-27,29,31-33,35,37-45,49H2,1-2H3,(H,52,53)/b7-5-,13-11-,19-17-,25-23-,30-28-,36-34-/t46-/m1/s1
InChIKeyPHVVYVMCBRVWPG-DCYADZLSSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/21:0) (CHEBI:188209) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-henicosanoyloxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Manual XrefsDatabases
113375853ChemSpider
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