CHEBI:70931 - N-pentacosanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-pentacosanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine
ChEBI ID CHEBI:70931
ChEBI ASCII Name N-pentacosanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine
Definition An N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine in which the acyl group has 25 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 C47H95N2O6P
Net Charge 0
Average Mass 815.24080
Monoisotopic Mass 814.69278
InChI InChI=1S/C47H95N2O6P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-31-34-37-40-47(51)48-45(43-55-56(52,53)54-42-41-49(4,5)6)46(50)39-36-33-30-27-25-26-29-32-35-38-44(2)3/h36,39,44-46,50H,7-35,37-38,40-43H2,1-6H3,(H-,48,51,52,53)/b39-36+/t45-,46+/m0/s1
InChIKey RQCDMLAWAZUOPO-GYFRLOJISA-N
SMILES CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)\C=C\CCCCCCCCCC(C)C
ChEBI Ontology
Outgoing N-pentacosanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70931) has functional parent 15-methylhexadecasphing-4-enine (CHEBI:70798)
N-pentacosanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70931) is a N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70775)
Synonym Source
15-methyl-N-pentacosanoylhexadecasphing-4-enine-1-phosphocholine ChEBI
Last Modified
22 November 2012