EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:191602 - PE-NMe(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))

ChEBI IDCHEBI:191602
ChEBI NamePE-NMe(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H78NO8P
Net Charge0
Average Mass804.103
Monoisotopic Mass803.54651
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC(COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)OCCNC
InChIInChI=1S/C46H78NO8P/c1-4-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47-3)42-52-45(48)38-36-34-32-30-28-26-24-19-17-15-13-11-9-7-5-2/h12-15,18-20,22-24,27,29,33,35,44,47H,4-11,16-17,21,25-26,28,30-32,34,36-43H2,1-3H3,(H,50,51)/b14-12-,15-13-,20-18-,23-22-,24-19-,29-27-,35-33-
InChIKeyRHNNAWMZFGNIAU-PKDDCAEBSA-N
Species of MetaboliteComponentSourceComments
Solanum tuberosum (ncbitaxon:4113) leaf (BTO:0000713) MetaboLights (MTBLS4365)
ChEBI Ontology
Outgoing Relation(s)
PE-NMe(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)) (CHEBI:191602) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name 
[1-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate
Manual XrefsDatabases
HMDB0113188HMDB
74850060ChemSpider