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

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ChEBI Name N-(2-hydroxyheptacosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine
ChEBI ID CHEBI:70951
ChEBI ASCII Name N-(2-hydroxyheptacosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine
Definition An N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine in which the acyl group has 27 carbons and 0 double bonds and is 2-hydroxylated.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Alan Bridge
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C49H99N2O7P
Net Charge 0
Average Mass 859.29330
Monoisotopic Mass 858.71899
InChI InChI=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
InChIKey HTFJKCHLCKQTKC-IVNVYFSQSA-N
SMILES CCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)\C=C\CCCCCCCCCC(C)C
ChEBI Ontology
Outgoing 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)
Last Modified
22 November 2012