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CHEBI:186490 - PE-Cer(d16:2(4E,6E)/24:1(15Z))

ChEBI IDCHEBI:186490
ChEBI NamePE-Cer(d16:2(4E,6E)/24:1(15Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H81N2O6P
Net Charge0
Average Mass741.092
Monoisotopic Mass740.58322
SMILESCCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)OCCN)[C@H](O)/C=C/C=C/CCCCCCCCC
InChIInChI=1S/C42H81N2O6P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-36-42(46)44-40(39-50-51(47,48)49-38-37-43)41(45)35-33-31-29-27-25-14-12-10-8-6-4-2/h16-17,29,31,33,35,40-41,45H,3-15,18-28,30,32,34,36-39,43H2,1-2H3,(H,44,46)(H,47,48)/b17-16-,31-29+,35-33+/t40-,41+/m0/s1
InChIKeyCQKXJYQFNKJIIB-DHAHJBKASA-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(d16:2(4E,6E)/24:1(15Z)) (CHEBI:186490) is a ceramide phosphoethanolamine (CHEBI:73204)
IUPAC Name 
2-aminoethyl [(2S,3R,4E,6E)-3-hydroxy-2-[[(Z)-tetracos-15-enoyl]amino]hexadeca-4,6-dienyl] hydrogen phosphate
Manual XrefsDatabases
113381604ChemSpider
LMSP03020055LIPID MAPS