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

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ChEBI Name N-(octadecanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine
ChEBI ID CHEBI:73885
ChEBI ASCII Name N-(octadecanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine
Definition An N-acyl-C14 sphingosine 1-phosphoethanolamine where the acyl group is octadecanoyl.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C34H69N2O6P
Net Charge 0
Average Mass 632.89520
Monoisotopic Mass 632.48932
InChI InChI=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
InChIKey YOKFAHUWCRJFNC-DMVJVELGSA-N
SMILES CCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(O)(=O)OCCN)[C@H](O)\C=C\CCCCCCCCC
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.
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ChEBI Ontology
Outgoing 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 Sources
PE-Cer d14:1(4E)/18:0 ChEBI
PE-Cer(d14:1(4E)/18:0) ChEBI
phosphatidylethanolamine-ceramide(d14:1(4E)/18:0) ChEBI
Manual Xref Database
LMSP03020001 LIPID MAPS
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Last Modified
26 September 2013