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CHEBI:187098 - PE-Cer(d14:2(4E,6E)/20:0)

ChEBI IDCHEBI:187098
ChEBI NamePE-Cer(d14:2(4E,6E)/20:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H71N2O6P
Net Charge0
Average Mass658.946
Monoisotopic Mass658.50497
SMILESCCCCCCC/C=C/C=C/[C@@H](O)[C@H](COP(=O)(O)OCCN)NC(=O)CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C36H71N2O6P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30-36(40)38-34(33-44-45(41,42)43-32-31-37)35(39)29-27-25-23-21-12-10-8-6-4-2/h23,25,27,29,34-35,39H,3-22,24,26,28,30-33,37H2,1-2H3,(H,38,40)(H,41,42)/b25-23+,29-27+/t34-,35+/m0/s1
InChIKeyJMUVJDCMLYCVJU-WQEAGDIWSA-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(d14:2(4E,6E)/20:0) (CHEBI:187098) is a ceramide phosphoethanolamine (CHEBI:73204)
IUPAC Name 
2-aminoethyl [(2S,3R,4E,6E)-3-hydroxy-2-(icosanoylamino)tetradeca-4,6-dienyl] hydrogen phosphate
Manual XrefsDatabases
LMSP03020032LIPID MAPS
113381583ChemSpider