EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:178380 - PE(20:1(11Z)/12:0)

ChEBI IDCHEBI:178380
ChEBI NamePE(20:1(11Z)/12:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H72NO8P
Net Charge0
Average Mass689.956
Monoisotopic Mass689.49955
SMILESCCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCC
InChIInChI=1S/C37H72NO8P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-21-12-10-8-6-4-2/h15-16,35H,3-14,17-34,38H2,1-2H3,(H,41,42)/b16-15-/t35-/m1/s1
InChIKeyNDOQSKDDPLVGGQ-PBYDCGJFSA-N
ChEBI Ontology
Outgoing Relation(s)
PE(20:1(11Z)/12:0) (CHEBI:178380) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-dodecanoyloxypropyl] (Z)-icos-11-enoate
Manual XrefsDatabases
LMGP02010841LIPID MAPS