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CHEBI:70946 - N-(2-hydroxyhexacosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine

ChEBI IDCHEBI:70946
ChEBI NameN-(2-hydroxyhexacosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine
Stars
ASCII NameN-(2-hydroxyhexacosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine
DefinitionAn N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine in which the acyl group has 26 carbons and 0 double bonds and is 2-hydroxylated.
Last Modified22 November 2012
SubmitterAlan Bridge
DownloadsMolfile
FormulaC48H97N2O7P
Net Charge0
Average Mass845.285
Monoisotopic Mass844.70334
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)/C=C/CCCCCCCCCC(C)C
InChIInChI=1S/C48H97N2O7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-31-34-37-40-47(52)48(53)49-45(43-57-58(54,55)56-42-41-50(4,5)6)46(51)39-36-33-30-28-25-26-29-32-35-38-44(2)3/h36,39,44-47,51-52H,7-35,37-38,40-43H2,1-6H3,(H-,49,53,54,55)/b39-36+/t45-,46+,47?/m0/s1
InChIKeyXDEORTFMNYUGLJ-PDTYYUCESA-N
ChEBI Ontology
Outgoing Relation(s)
N-(2-hydroxyhexacosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70946) has functional parent 15-methylhexadecasphing-4-enine (CHEBI:70798)
N-(2-hydroxyhexacosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70946) is a N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70775)