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CHEBI:189909 - PE-Cer(d14:1(4E)/18:0(2OH))

ChEBI IDCHEBI:189909
ChEBI NamePE-Cer(d14:1(4E)/18:0(2OH))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H69N2O7P
Net Charge0
Average Mass648.907
Monoisotopic Mass648.48424
SMILESCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O)OCCN)NC(=O)C(O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C34H69N2O7P/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-27-33(38)34(39)36-31(30-43-44(40,41)42-29-28-35)32(37)26-24-22-20-18-12-10-8-6-4-2/h24,26,31-33,37-38H,3-23,25,27-30,35H2,1-2H3,(H,36,39)(H,40,41)/b26-24+/t31-,32+,33?/m0/s1
InChIKeyMMDJJZHVBVYAGY-BPSIFJBESA-N
Species of MetaboliteComponentSourceComments
marine plankton environmental sample (ncbitaxon:632957) endometabolome MetaboLights (MTBLS3038)
ChEBI Ontology
Outgoing Relation(s)
PE-Cer(d14:1(4E)/18:0(2OH)) (CHEBI:189909) is a ceramide phosphoethanolamine (CHEBI:73204)
IUPAC Name 
2-aminoethyl [(E,2S,3R)-3-hydroxy-2-(2-hydroxyoctadecanoylamino)tetradec-4-enyl] hydrogen phosphate
Manual XrefsDatabases
113381608ChemSpider
LMSP03020059LIPID MAPS