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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-heptacosanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine
ChEBI ID CHEBI:70945
ChEBI ASCII Name N-heptacosanoyl-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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Alan Bridge
Supplier Information
Download Molfile XML SDF
Formula C49H99N2O6P
Net Charge 0
Average Mass 843.29390
Monoisotopic Mass 842.72408
InChI InChI=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
InChIKey DYXVLRHHFYHVHG-CKZWUANCSA-N
SMILES CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)\C=C\CCCCCCCCCC(C)C
ChEBI Ontology
Outgoing 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)
Last Modified
05 March 2013