CHEBI:70917 - N-tricosanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-tricosanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine
ChEBI ID CHEBI:70917
ChEBI ASCII Name N-tricosanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine
Definition An N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine in which the acyl group has 23 carbons and 0 double bonds.
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 C45H91N2O6P
Net Charge 0
Average Mass 787.18760
Monoisotopic Mass 786.66148
InChI InChI=1S/C45H91N2O6P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-29-32-35-38-45(49)46-43(41-53-54(50,51)52-40-39-47(4,5)6)44(48)37-34-31-28-25-23-24-27-30-33-36-42(2)3/h34,37,42-44,48H,7-33,35-36,38-41H2,1-6H3,(H-,46,49,50,51)/b37-34+/t43-,44+/m0/s1
InChIKey LCLFLBUHPXNYNR-SINCLJJZSA-N
SMILES CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)\C=C\CCCCCCCCCC(C)C
ChEBI Ontology
Outgoing N-tricosanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70917) has functional parent 15-methylhexadecasphing-4-enine (CHEBI:70798)
N-tricosanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70917) is a N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70775)
Synonym Source
15-methyl-N-tricosanoylhexadecasphing-4-enine-1-phosphocholine ChEBI
Last Modified
21 November 2012