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CHEBI:188117 - PE-Cer(d15:2(4E,6E)/22:0(2OH))

Default Structure
ChEBI IDCHEBI:188117
ChEBI NamePE-Cer(d15:2(4E,6E)/22:0(2OH))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H77N2O7P
Net Charge0
Average Mass717.026
Monoisotopic Mass716.54684
SMILESCCCCCCCC/C=C/C=C/[C@@H](O)[C@H](COP(=O)(O)OCCN)NC(=O)C(O)CCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C39H77N2O7P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-38(43)39(44)41-36(35-48-49(45,46)47-34-33-40)37(42)31-29-27-25-23-14-12-10-8-6-4-2/h25,27,29,31,36-38,42-43H,3-24,26,28,30,32-35,40H2,1-2H3,(H,41,44)(H,45,46)/b27-25+,31-29+/t36-,37+,38?/m0/s1
InChIKeyDBIVPDMDBTWMSA-UXGQEFIMSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
PE-Cer(d15:2(4E,6E)/22:0(2OH)) (CHEBI:188117) is a ceramide phosphoethanolamine (CHEBI:73204)
IUPAC Name 
2-aminoethyl [(2S,3R,4E,6E)-3-hydroxy-2-(2-hydroxydocosanoylamino)pentadeca-4,6-dienyl] hydrogen phosphate
Manual XrefsDatabases
113381627ChemSpider
LMSP03020078LIPID MAPS