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CHEBI:185118 - PE(22:2(13Z,16Z)/24:1(15Z))

ChEBI IDCHEBI:185118
ChEBI NamePE(22:2(13Z,16Z)/24:1(15Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H96NO8P
Net Charge0
Average Mass882.302
Monoisotopic Mass881.68736
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C51H96NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-51(54)60-49(48-59-61(55,56)58-46-45-52)47-57-50(53)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,49H,3-11,13,15-16,21-48,52H2,1-2H3,(H,55,56)/b14-12-,19-17-,20-18-/t49-/m1/s1
InChIKeySHCSJEWCYUBUBQ-DGQABRSQSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
PE(22:2(13Z,16Z)/24:1(15Z)) (CHEBI:185118) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(13Z,16Z)-docosa-13,16-dienoyl]oxypropan-2-yl] (Z)-tetracos-15-enoate
Manual XrefsDatabases
HMDB0009575HMDB
24769019ChemSpider