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CHEBI:86516 - N-(octadecanoyl)-pentadecasphing-4-enine-1-phosphoethanolamine

ChEBI IDCHEBI:86516
ChEBI NameN-(octadecanoyl)-pentadecasphing-4-enine-1-phosphoethanolamine
Stars
ASCII NameN-(octadecanoyl)-pentadecasphing-4-enine-1-phosphoethanolamine
DefinitionA ceramide phosphoethanolamine (33:1) in which the sphingoid and acyl components are pentadecasphing-4-enine and octadecanoyl respectively.
Last Modified16 July 2015
Submitternamrata
DownloadsMolfile
FormulaC35H71N2O6P
Net Charge0
Average Mass646.935
Monoisotopic Mass646.50497
SMILES[H][C@@](O)(/C=C/CCCCCCCCCC)[C@]([H])(COP(=O)(O)OCCN)NC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=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
InChIKeyAOAXBOCFELXPSU-FEBLJDHQSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
N-(octadecanoyl)-pentadecasphing-4-enine-1-phosphoethanolamine (CHEBI:86516) has functional parent octadecanoic acid (CHEBI:28842)
N-(octadecanoyl)-pentadecasphing-4-enine-1-phosphoethanolamine (CHEBI:86516) is a ceramide phosphoethanolamine (33:1) (CHEBI:86515)
IUPAC Name 
2-aminoethyl (2S,3R,4E)-3-hydroxy-2-(octadecanoylamino)pentadec-4-en-1-yl hydrogen phosphate
Synonyms  Source
PE-Cer(d15:1(4E)/18:0)LIPID MAPS
PE-Cer(d15:1/18:0)LIPID MAPS
Manual XrefsDatabases
LMSP03020015LIPID MAPS