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CHEBI:70950 - N-octacosanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine

ChEBI IDCHEBI:70950
ChEBI NameN-octacosanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine
Stars
ASCII NameN-octacosanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine
DefinitionAn N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine in which the acyl group has 28 carbons and 0 double bonds.
Last Modified5 March 2013
SubmitterAlan Bridge
DownloadsMolfile
FormulaC50H101N2O6P
Net Charge0
Average Mass857.340
Monoisotopic Mass856.73973
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)/C=C/CCCCCCCCCC(C)C
InChIInChI=1S/C50H101N2O6P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-31-34-37-40-43-50(54)51-48(46-58-59(55,56)57-45-44-52(4,5)6)49(53)42-39-36-33-30-28-29-32-35-38-41-47(2)3/h39,42,47-49,53H,7-38,40-41,43-46H2,1-6H3,(H-,51,54,55,56)/b42-39+/t48-,49+/m0/s1
InChIKeyCIKONNGASYDOQA-DNDBPMFYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-octacosanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70950) has functional parent 15-methylhexadecasphing-4-enine (CHEBI:70798)
N-octacosanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70950) is a N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70775)
Synonym  Source
15-methyl-N-octacosanoylhexadecasphing-4-enine-1-phosphocholineChEBI