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CHEBI:184986 - PE(22:1(13Z)/24:1(15Z))

ChEBI IDCHEBI:184986
ChEBI NamePE(22:1(13Z)/24:1(15Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H98NO8P
Net Charge0
Average Mass884.318
Monoisotopic Mass883.70301
SMILESCCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OCCN
InChIInChI=1S/C51H98NO8P/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/h17-20,49H,3-16,21-48,52H2,1-2H3,(H,55,56)/b19-17-,20-18-/t49-/m1/s1
InChIKeyZGIIQKWIHWMINC-CGACMRCQSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
PE(22:1(13Z)/24:1(15Z)) (CHEBI:184986) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-docos-13-enoyl]oxypropan-2-yl] (Z)-tetracos-15-enoate
Manual XrefsDatabases
24768986ChemSpider
HMDB0009542HMDB