EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:196746 - PE(13:0/20:1(11Z))

ChEBI IDCHEBI:196746
ChEBI NamePE(13:0/20:1(11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H74NO8P
Net Charge0
Average Mass703.983
Monoisotopic Mass703.51520
SMILESCCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COP(=O)(O)OCCN
InChIInChI=1S/C38H74NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-38(41)47-36(35-46-48(42,43)45-33-32-39)34-44-37(40)30-28-26-24-22-14-12-10-8-6-4-2/h16-17,36H,3-15,18-35,39H2,1-2H3,(H,42,43)/b17-16-/t36-/m1/s1
InChIKeyGGFGIZMZBWSGOF-RDUIHUIXSA-N
ChEBI Ontology
Outgoing Relation(s)
PE(13:0/20:1(11Z)) (CHEBI:196746) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-tridecanoyloxypropan-2-yl] (Z)-icos-11-enoate
Manual XrefsDatabases
113375446ChemSpider
LMGP02010396LIPID MAPS