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CHEBI:73885 - N-(octadecanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine

ChEBI IDCHEBI:73885
ChEBI NameN-(octadecanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine
Stars
ASCII NameN-(octadecanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine
DefinitionAn N-acyl-C14 sphingosine 1-phosphoethanolamine where the acyl group is octadecanoyl.
Last Modified26 September 2013
Submittermwilliams
DownloadsMolfile
FormulaC34H69N2O6P
Net Charge0
Average Mass632.908
Monoisotopic Mass632.48932
SMILESCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O)OCCN)NC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C34H69N2O6P/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-34(38)36-32(31-42-43(39,40)41-30-29-35)33(37)27-25-23-21-19-12-10-8-6-4-2/h25,27,32-33,37H,3-24,26,28-31,35H2,1-2H3,(H,36,38)(H,39,40)/b27-25+/t32-,33+/m0/s1
InChIKeyYOKFAHUWCRJFNC-DMVJVELGSA-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)-tetradecasphing-4-enine-1-phosphoethanolamine (CHEBI:73885) has role metabolite (CHEBI:25212)
N-(octadecanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine (CHEBI:73885) is a N-acyl-C14 sphingosine 1-phosphoethanolamine (CHEBI:73884)
IUPAC Name 
2-aminoethyl (2S,3R,4E)-3-hydroxy-2-(octadecanoylamino)tetradec-4-en-1-yl hydrogen phosphate
Synonyms  Source
PE-Cer(d14:1(4E)/18:0)ChEBI
phosphatidylethanolamine-ceramide(d14:1(4E)/18:0)ChEBI
PE-Cer d14:1(4E)/18:0ChEBI
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