CHEBI:70903 - N-henicosanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-henicosanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine
ChEBI ID CHEBI:70903
ChEBI ASCII Name N-henicosanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine
Definition An N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine in which the acyl group has 21 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 C43H87N2O6P
Net Charge 0
Average Mass 759.13440
Monoisotopic Mass 758.63018
InChI InChI=1S/C43H87N2O6P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-30-33-36-43(47)44-41(39-51-52(48,49)50-38-37-45(4,5)6)42(46)35-32-29-26-23-21-22-25-28-31-34-40(2)3/h32,35,40-42,46H,7-31,33-34,36-39H2,1-6H3,(H-,44,47,48,49)/b35-32+/t41-,42+/m0/s1
InChIKey HMQRZNBWVNRNRL-UXROQNIDSA-N
SMILES CCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)\C=C\CCCCCCCCCC(C)C
ChEBI Ontology
Outgoing N-henicosanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70903) has functional parent 15-methylhexadecasphing-4-enine (CHEBI:70798)
N-henicosanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70903) is a N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70775)
Synonym Source
N-heneicosanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine ChEBI
Last Modified
05 March 2013