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CHEBI:70931 - N-pentacosanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine

ChEBI IDCHEBI:70931
ChEBI NameN-pentacosanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine
Stars
ASCII NameN-pentacosanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine
DefinitionAn N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine in which the acyl group has 25 carbons and 0 double bonds.
Last Modified22 November 2012
SubmitterAlan Bridge
DownloadsMolfile
FormulaC47H95N2O6P
Net Charge0
Average Mass815.259
Monoisotopic Mass814.69278
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)/C=C/CCCCCCCCCC(C)C
InChIInChI=1S/C47H95N2O6P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-31-34-37-40-47(51)48-45(43-55-56(52,53)54-42-41-49(4,5)6)46(50)39-36-33-30-27-25-26-29-32-35-38-44(2)3/h36,39,44-46,50H,7-35,37-38,40-43H2,1-6H3,(H-,48,51,52,53)/b39-36+/t45-,46+/m0/s1
InChIKeyRQCDMLAWAZUOPO-GYFRLOJISA-N
ChEBI Ontology
Outgoing Relation(s)
N-pentacosanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70931) has functional parent 15-methylhexadecasphing-4-enine (CHEBI:70798)
N-pentacosanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70931) is a N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70775)
Synonym  Source
15-methyl-N-pentacosanoylhexadecasphing-4-enine-1-phosphocholineChEBI