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CHEBI:186382 - PE-Cer(d15:1(4E)/20:0(2OH))

ChEBI IDCHEBI:186382
ChEBI NamePE-Cer(d15:1(4E)/20:0(2OH))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H75N2O7P
Net Charge0
Average Mass690.988
Monoisotopic Mass690.53119
SMILESCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O)OCCN)NC(=O)C(O)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C37H75N2O7P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-36(41)37(42)39-34(33-46-47(43,44)45-32-31-38)35(40)29-27-25-23-21-14-12-10-8-6-4-2/h27,29,34-36,40-41H,3-26,28,30-33,38H2,1-2H3,(H,39,42)(H,43,44)/b29-27+/t34-,35+,36?/m0/s1
InChIKeyDZWVIWJJOGWXCC-ZVZQOESYSA-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(d15:1(4E)/20:0(2OH)) (CHEBI:186382) is a ceramide phosphoethanolamine (CHEBI:73204)
IUPAC Name 
2-aminoethyl [(E,2S,3R)-3-hydroxy-2-(2-hydroxyicosanoylamino)pentadec-4-enyl] hydrogen phosphate
Manual XrefsDatabases
113381623ChemSpider
LMSP03020074LIPID MAPS