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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-octacosanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine
ChEBI ID CHEBI:70950
ChEBI ASCII Name N-octacosanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine
Definition An N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine in which the acyl group has 28 carbons and 0 double bonds.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Alan Bridge
Supplier Information ChemicalBook:CB9463336, eMolecules:30512482, eMolecules:2726153, ZINC000003881958
Download Molfile XML SDF
Formula C50H101N2O6P
Net Charge 0
Average Mass 857.32050
Monoisotopic Mass 856.73973
InChI InChI=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
InChIKey CIKONNGASYDOQA-DNDBPMFYSA-N
SMILES CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)\C=C\CCCCCCCCCC(C)C
ChEBI Ontology
Outgoing 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-phosphocholine ChEBI
Last Modified
05 March 2013