EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:172808 - PE(18:4(6Z,9Z,12Z,15Z)/P-18:1(11Z))

ChEBI IDCHEBI:172808
ChEBI NamePE(18:4(6Z,9Z,12Z,15Z)/P-18:1(11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H72NO7P
Net Charge0
Average Mass722.001
Monoisotopic Mass721.50464
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O/C=C\CCCCCCCC/C=C\CCCCCC
InChIInChI=1S/C41H72NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-40(39-49-50(44,45)48-37-35-42)38-47-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12-15,18,20,24,26,33,36,40H,3-5,7,9-11,16-17,19,21-23,25,27-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b8-6-,14-12-,15-13-,20-18-,26-24-,36-33-/t40-/m1/s1
InChIKeyZKHZGLULXDLLMK-KQNMAQKCSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
PE(18:4(6Z,9Z,12Z,15Z)/P-18:1(11Z)) (CHEBI:172808) is a glycerophosphoethanolamine (CHEBI:36314)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(1Z,11Z)-octadeca-1,11-dienoxy]propyl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
Manual XrefsDatabases
HMDB0009215HMDB
24768677ChemSpider