EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:170230 - PE-NMe2(18:1(9Z)/18:0)

ChEBI IDCHEBI:170230
ChEBI NamePE-NMe2(18:1(9Z)/18:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H84NO8P
Net Charge0
Average Mass774.118
Monoisotopic Mass773.59346
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)(O)OCCN(C)C)OC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C43H84NO8P/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44(3)4)52-43(46)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19,21,41H,5-18,20,22-40H2,1-4H3,(H,47,48)/b21-19-
InChIKeyDKXBXAXWHBRRSV-VZCXRCSSSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
Homo sapiens (ncbitaxon:9606)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
ChEBI Ontology
Outgoing Relation(s)
PE-NMe2(18:1(9Z)/18:0) (CHEBI:170230) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name 
[1-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-3-[(Z)-octadec-9-enoyl]oxypropan-2-yl] octadecanoate
Manual XrefsDatabases
HMDB0114043HMDB
74850831ChemSpider