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

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ChEBI Name N-(octadecanoyl)-pentadecasphing-4-enine-1-phosphoethanolamine
ChEBI ID CHEBI:86516
ChEBI ASCII Name N-(octadecanoyl)-pentadecasphing-4-enine-1-phosphoethanolamine
Definition A ceramide phosphoethanolamine (33:1) in which the sphingoid and acyl components are pentadecasphing-4-enine and octadecanoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C35H71N2O6P
Net Charge 0
Average Mass 646.92180
Monoisotopic Mass 646.50498
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
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via ceramide phosphoethanolamine (33:1) )
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ChEBI Ontology
Outgoing 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 Sources
PE-Cer(d15:1(4E)/18:0) LIPID MAPS
PE-Cer(d15:1/18:0) LIPID MAPS
Manual Xref Database
LMSP03020015 LIPID MAPS
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Last Modified
16 July 2015