EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:179504 - PE-Cer(d16:1(4E)/18:0)

ChEBI IDCHEBI:179504
ChEBI NamePE-Cer(d16:1(4E)/18:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H73N2O6P
Net Charge0
Average Mass660.962
Monoisotopic Mass660.52062
SMILESCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O)OCCN)NC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C36H73N2O6P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-36(40)38-34(33-44-45(41,42)43-32-31-37)35(39)29-27-25-23-21-19-14-12-10-8-6-4-2/h27,29,34-35,39H,3-26,28,30-33,37H2,1-2H3,(H,38,40)(H,41,42)/b29-27+/t34-,35+/m0/s1
InChIKeyGDQHRVHWCRZKOF-WSYRTZMQSA-N
ChEBI Ontology
Outgoing Relation(s)
PE-Cer(d16:1(4E)/18:0) (CHEBI:179504) is a ceramide phosphoethanolamine (CHEBI:73204)
IUPAC Name 
2-aminoethyl [(E,2S,3R)-3-hydroxy-2-(octadecanoylamino)hexadec-4-enyl] hydrogen phosphate
Manual XrefsDatabases
LMSP03020020LIPID MAPS