EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:187167 - PE-Cer(d16:1(4E)/24:0(2OH))

ChEBI IDCHEBI:187167
ChEBI NamePE-Cer(d16:1(4E)/24:0(2OH))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H85N2O7P
Net Charge0
Average Mass761.123
Monoisotopic Mass760.60944
SMILESCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O)OCCN)NC(=O)C(O)CCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C42H85N2O7P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-35-41(46)42(47)44-39(38-51-52(48,49)50-37-36-43)40(45)34-32-30-28-26-24-14-12-10-8-6-4-2/h32,34,39-41,45-46H,3-31,33,35-38,43H2,1-2H3,(H,44,47)(H,48,49)/b34-32+/t39-,40+,41?/m0/s1
InChIKeyMIHAATQWUYFGSX-SKJQHVFTSA-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)/24:0(2OH)) (CHEBI:187167) is a ceramide phosphoethanolamine (CHEBI:73204)
IUPAC Name 
2-aminoethyl [(E,2S,3R)-3-hydroxy-2-(2-hydroxytetracosanoylamino)hexadec-4-enyl] hydrogen phosphate
Manual XrefsDatabases
113381635ChemSpider
LMSP03020086LIPID MAPS