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 No supplier information found for this compound.
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