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CHEBI:132058 - N-pentacosanoylsphingosine-1-phosphocholine

ChEBI IDCHEBI:132058
ChEBI NameN-pentacosanoylsphingosine-1-phosphocholine
Stars
ASCII NameN-pentacosanoylsphingosine-1-phosphocholine
DefinitionA sphingomyelin d18:1 obtained by formal condensation of the carboxy group of pentacosanoic acid with the amino group of sphingosine.
Last Modified7 December 2016
Submittermwilliams
DownloadsMolfile
FormulaC48H97N2O6P
Net Charge0
Average Mass829.286
Monoisotopic Mass828.70843
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C48H97N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-48(52)49-46(45-56-57(53,54)55-44-43-50(3,4)5)47(51)41-39-37-35-33-31-29-19-17-15-13-11-9-7-2/h39,41,46-47,51H,6-38,40,42-45H2,1-5H3,(H-,49,52,53,54)/b41-39+/t46-,47+/m0/s1
InChIKeyJONXXLXMISNQNG-BXMSAMRLSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - MetaboLights (MTBLS279)
ChEBI Ontology
Outgoing Relation(s)
N-pentacosanoylsphingosine-1-phosphocholine (CHEBI:132058) has functional parent pentacosanoic acid (CHEBI:39420)
N-pentacosanoylsphingosine-1-phosphocholine (CHEBI:132058) is a sphingomyelin 43:1 (CHEBI:132059)
N-pentacosanoylsphingosine-1-phosphocholine (CHEBI:132058) is a sphingomyelin d18:1 (CHEBI:17636)
IUPAC Name 
(2S,3R,4E)-3-hydroxy-2-(pentacosanoylamino)octadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
SM(d18:1/25:0)LIPID MAPS
N-(pentacosanoyl)-sphing-4-enine-1-phosphocholineLIPID MAPS
C25-SphingomyelinLIPID MAPS
N-pentacosanoylsphing-4-enine-1-phosphocholineChEBI
sphingomyelin d18:1/25:0ChEBI
Manual XrefsDatabases
LMSP03010027LIPID MAPS