EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:170167 - PE-NMe(18:1(11Z)/18:0)

ChEBI IDCHEBI:170167
ChEBI NamePE-NMe(18:1(11Z)/18:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H82NO8P
Net Charge0
Average Mass760.091
Monoisotopic Mass759.57781
SMILESCCCCCC/C=C\CCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC)OC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C42H82NO8P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43-3)51-42(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h14,16,40,43H,4-13,15,17-39H2,1-3H3,(H,46,47)/b16-14-
InChIKeyOFEXMTJNUNHHCF-PEZBUJJGSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
PE-NMe(18:1(11Z)/18:0) (CHEBI:170167) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name 
[1-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-3-[(Z)-octadec-11-enoyl]oxypropan-2-yl] octadecanoate
Manual XrefsDatabases
74849988ChemSpider
HMDB0113115HMDB