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CHEBI:187849 - PE-Cer(d14:1(4E)/20:0(2OH))

ChEBI IDCHEBI:187849
ChEBI NamePE-Cer(d14:1(4E)/20:0(2OH))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H73N2O7P
Net Charge0
Average Mass676.961
Monoisotopic Mass676.51554
SMILESCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O)OCCN)NC(=O)C(O)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C36H73N2O7P/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-29-35(40)36(41)38-33(32-45-46(42,43)44-31-30-37)34(39)28-26-24-22-20-12-10-8-6-4-2/h26,28,33-35,39-40H,3-25,27,29-32,37H2,1-2H3,(H,38,41)(H,42,43)/b28-26+/t33-,34+,35?/m0/s1
InChIKeyDBKJMNKCKPSZRT-KRMVEAALSA-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(d14:1(4E)/20:0(2OH)) (CHEBI:187849) is a ceramide phosphoethanolamine (CHEBI:73204)
IUPAC Name 
2-aminoethyl [(E,2S,3R)-3-hydroxy-2-(2-hydroxyicosanoylamino)tetradec-4-enyl] hydrogen phosphate
Manual XrefsDatabases
113381609ChemSpider
LMSP03020060LIPID MAPS