MetaboLights
A ceramide phosphoethanolamine (33:1) in which the sphingoid and acyl components are pentadecasphing-4-enine and octadecanoyl respectively.
Identification
IUPAC Names
2-aminoethyl (2S,3R,4E)-3-hydroxy-2-(octadecanoylamino)pentadec-4-en-1-yl hydrogen phosphate
Molecular Formula
C35H71N2O6P
Mass
646.92180
Monoisotopic Mass
646.50498
Charge
0
InChI
InChI=1S/C35H71N2O6P/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-35(39)37-33(32-43-44(40,41)42-31-30-36)34(38)28-26-24-22-20-14-12-10-8-6-4-2/h26,28,33-34,38H,3-25,27,29-32,36H2,1-2H3,(H,37,39)(H,40,41)/b28-26+/t33-,34+/m0/s1
InChIKey
AOAXBOCFELXPSU-FEBLJDHQSA-N
SMILES
CCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(O)(=O)OCCN)[C@H](O)\C=C\CCCCCCCCCC
Synonyms
PE-Cer(d15:1(4E)/18:0)
PE-Cer(d15:1/18:0)