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CHEBI:86518 - N-(icosanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine

ChEBI IDCHEBI:86518
ChEBI NameN-(icosanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine
Stars
ASCII NameN-(icosanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine
DefinitionA N-acyltetradecasphingosine-1-phosphoethanolamine in which the acyl group specified is icosanoyl.
Last Modified16 July 2015
Submitternamrata
DownloadsMolfile
FormulaC36H73N2O6P
Net Charge0
Average Mass660.962
Monoisotopic Mass660.52062
SMILES[H][C@@](O)(/C=C/CCCCCCCCC)[C@]([H])(COP(=O)(O)OCCN)NC(=O)CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C36H73N2O6P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30-36(40)38-34(33-44-45(41,42)43-32-31-37)35(39)29-27-25-23-21-12-10-8-6-4-2/h27,29,34-35,39H,3-26,28,30-33,37H2,1-2H3,(H,38,40)(H,41,42)/b29-27+/t34-,35+/m0/s1
InChIKeyYZEKNINLRZQHRK-WSYRTZMQSA-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-(icosanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine (CHEBI:86518) has functional parent icosanoic acid (CHEBI:28822)
N-(icosanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine (CHEBI:86518) is a N-acyltetradecasphingosine-1-phosphoethanolamine (CHEBI:83764)
N-(icosanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine (CHEBI:86518) is a ceramide phosphoethanolamine (34:1) (CHEBI:86517)
IUPAC Name 
2-aminoethyl (2S,3R,4E)-3-hydroxy-2-(icosanoylamino)tetradec-4-en-1-yl hydrogen phosphate
Synonyms  Source
PE-Cer(d14:1/20:0)LIPID MAPS
PE-Cer(d14:1(4E)/20:0)LIPID MAPS
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LMSP03020005LIPID MAPS