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CHEBI:70896 - N-icosanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine

ChEBI IDCHEBI:70896
ChEBI NameN-icosanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine
Stars
ASCII NameN-icosanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine
DefinitionAn N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine in which the acyl group has 20 carbons and 0 double bonds.
Last Modified5 March 2013
SubmitterAlan Bridge
DownloadsMolfile
FormulaC42H85N2O6P
Net Charge0
Average Mass745.124
Monoisotopic Mass744.61453
SMILESCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)/C=C/CCCCCCCCCC(C)C
InChIInChI=1S/C42H85N2O6P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-29-32-35-42(46)43-40(38-50-51(47,48)49-37-36-44(4,5)6)41(45)34-31-28-25-22-20-21-24-27-30-33-39(2)3/h31,34,39-41,45H,7-30,32-33,35-38H2,1-6H3,(H-,43,46,47,48)/b34-31+/t40-,41+/m0/s1
InChIKeyUADNINOCDBOIHK-WDAHTEFCSA-N
ChEBI Ontology
Outgoing Relation(s)
N-icosanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70896) has functional parent 15-methylhexadecasphing-4-enine (CHEBI:70798)
N-icosanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70896) is a N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70775)
Synonym  Source
N-eicosanoyl-15-methylhexadecasphing-4-enine-1-phosphocholineChEBI