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CHEBI:138575 - N-(pentacosanoyl)-hexadecasphing-4-enine-1-phosphocholine

ChEBI IDCHEBI:138575
ChEBI NameN-(pentacosanoyl)-hexadecasphing-4-enine-1-phosphocholine
Stars
ASCII NameN-(pentacosanoyl)-hexadecasphing-4-enine-1-phosphocholine
Last Modified29 September 2017
Submittermwilliams
DownloadsMolfile
FormulaC46H93N2O6P
Net Charge0
Average Mass801.232
Monoisotopic Mass800.67713
SMILES[H][C@@](O)(/C=C/CCCCCCCCCCC)[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C46H93N2O6P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-46(50)47-44(43-54-55(51,52)53-42-41-48(3,4)5)45(49)39-37-35-33-31-29-17-15-13-11-9-7-2/h37,39,44-45,49H,6-36,38,40-43H2,1-5H3,(H-,47,50,51,52)/b39-37+/t44-,45+/m0/s1
InChIKeyLQSSZIQDYCHSLD-NMIJJABPSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(pentacosanoyl)-hexadecasphing-4-enine-1-phosphocholine (CHEBI:138575) is a sphingomyelin 41:1 (CHEBI:83893)
Synonym  Source
SM(d16:1/25:0)LIPID MAPS
Manual XrefsDatabases
LMSP03010076LIPID MAPS