EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:187410 - PE-Cer(d16:1(4E)/23:0)

ChEBI IDCHEBI:187410
ChEBI NamePE-Cer(d16:1(4E)/23:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H83N2O6P
Net Charge0
Average Mass731.097
Monoisotopic Mass730.59888
SMILESCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O)OCCN)NC(=O)CCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C41H83N2O6P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-35-41(45)43-39(38-49-50(46,47)48-37-36-42)40(44)34-32-30-28-26-24-14-12-10-8-6-4-2/h32,34,39-40,44H,3-31,33,35-38,42H2,1-2H3,(H,43,45)(H,46,47)/b34-32+/t39-,40+/m0/s1
InChIKeyBUNPCMSTWXDZQU-YJFXYUILSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
PE-Cer(d16:1(4E)/23:0) (CHEBI:187410) is a ceramide phosphoethanolamine (CHEBI:73204)
IUPAC Name 
2-aminoethyl [(E,2S,3R)-3-hydroxy-2-(tricosanoylamino)hexadec-4-enyl] hydrogen phosphate
Manual XrefsDatabases
LMSP03020025LIPID MAPS
113381576ChemSpider