EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:184686 - Pe-nme2(22:0/24:0)

ChEBI IDCHEBI:184686
ChEBI NamePe-nme2(22:0/24:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H106NO8P
Net Charge0
Average Mass916.404
Monoisotopic Mass915.76561
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN(C)C
InChIInChI=1S/C53H106NO8P/c1-5-7-9-11-13-15-17-19-21-23-25-26-28-30-32-34-36-38-40-42-44-46-53(56)62-51(50-61-63(57,58)60-48-47-54(3)4)49-59-52(55)45-43-41-39-37-35-33-31-29-27-24-22-20-18-16-14-12-10-8-6-2/h51H,5-50H2,1-4H3,(H,57,58)
InChIKeyUIMLITFKIXAPEO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
Pe-nme2(22:0/24:0) (CHEBI:184686) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name 
[1-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-3-docosanoyloxypropan-2-yl] tetracosanoate
Manual XrefsDatabases
HMDB0114435HMDB
74851222ChemSpider