EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:70951 - N-(2-hydroxyheptacosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine

ChEBI IDCHEBI:70951
ChEBI NameN-(2-hydroxyheptacosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine
Stars
ASCII NameN-(2-hydroxyheptacosanoyl)-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 and is 2-hydroxylated.
Last Modified22 November 2012
SubmitterAlan Bridge
DownloadsMolfile
FormulaC49H99N2O7P
Net Charge0
Average Mass859.312
Monoisotopic Mass858.71899
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)/C=C/CCCCCCCCCC(C)C
InChIInChI=1S/C49H99N2O7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-28-32-35-38-41-48(53)49(54)50-46(44-58-59(55,56)57-43-42-51(4,5)6)47(52)40-37-34-31-29-26-27-30-33-36-39-45(2)3/h37,40,45-48,52-53H,7-36,38-39,41-44H2,1-6H3,(H-,50,54,55,56)/b40-37+/t46-,47+,48?/m0/s1
InChIKeyHTFJKCHLCKQTKC-IVNVYFSQSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(2-hydroxyheptacosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70951) has functional parent 15-methylhexadecasphing-4-enine (CHEBI:70798)
N-(2-hydroxyheptacosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70951) is a N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70775)