EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:185359 - Pe-nme2(15:0/22:0)

ChEBI IDCHEBI:185359
ChEBI NamePe-nme2(15:0/22:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H88NO8P
Net Charge0
Average Mass790.161
Monoisotopic Mass789.62476
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OCCN(C)C
InChIInChI=1S/C44H88NO8P/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3)4)40-50-43(46)36-34-32-30-28-26-18-16-14-12-10-8-6-2/h42H,5-41H2,1-4H3,(H,48,49)
InChIKeyDHJSKYCLQMYTHO-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(15:0/22:0) (CHEBI:185359) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name 
[1-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-3-pentadecanoyloxypropan-2-yl] docosanoate
Manual XrefsDatabases
HMDB0113931HMDB
74850719ChemSpider