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CHEBI:70945 - N-heptacosanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine

ChEBI IDCHEBI:70945
ChEBI NameN-heptacosanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine
Stars
ASCII NameN-heptacosanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine
DefinitionAn N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine in which the acyl group has 27 carbons and 0 double bonds.
Last Modified5 March 2013
SubmitterAlan Bridge
DownloadsMolfile
FormulaC49H99N2O6P
Net Charge0
Average Mass843.313
Monoisotopic Mass842.72408
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)/C=C/CCCCCCCCCC(C)C
InChIInChI=1S/C49H99N2O6P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-30-33-36-39-42-49(53)50-47(45-57-58(54,55)56-44-43-51(4,5)6)48(52)41-38-35-32-29-27-28-31-34-37-40-46(2)3/h38,41,46-48,52H,7-37,39-40,42-45H2,1-6H3,(H-,50,53,54,55)/b41-38+/t47-,48+/m0/s1
InChIKeyDYXVLRHHFYHVHG-CKZWUANCSA-N
ChEBI Ontology
Outgoing Relation(s)
N-heptacosanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70945) has functional parent 15-methylhexadecasphing-4-enine (CHEBI:70798)
N-heptacosanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70945) is a N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70775)