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CHEBI:172814 - PE(14:0/22:5(4Z,7Z,10Z,13Z,16Z))

ChEBI IDCHEBI:172814
ChEBI NamePE(14:0/22:5(4Z,7Z,10Z,13Z,16Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H72NO8P
Net Charge0
Average Mass738.000
Monoisotopic Mass737.49955
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OCCN
InChIInChI=1S/C41H72NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-14-12-10-8-6-4-2/h11,13,16-17,19-20,22,24,28,30,39H,3-10,12,14-15,18,21,23,25-27,29,31-38,42H2,1-2H3,(H,45,46)/b13-11-,17-16-,20-19-,24-22-,30-28-/t39-/m1/s1
InChIKeyWPOPBYPPPATGDY-UQGWHFHQSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
PE(14:0/22:5(4Z,7Z,10Z,13Z,16Z)) (CHEBI:172814) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-tetradecanoyloxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate
Manual XrefsDatabases
HMDB0008845HMDB
24768350ChemSpider