CHEBI:70890 - N-(2-hydroxyoctadecanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-(2-hydroxyoctadecanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine
ChEBI ID CHEBI:70890
ChEBI ASCII Name N-(2-hydroxyoctadecanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine
Definition An N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine in which the acyl group has 18 carbons and 0 double bonds and is 2-hydroxylated.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Alan Bridge
Supplier Information
Download Molfile XML SDF
Formula C40H81N2O7P
Net Charge 0
Average Mass 733.05410
Monoisotopic Mass 732.57814
InChI InChI=1S/C40H81N2O7P/c1-7-8-9-10-11-12-13-14-15-16-19-23-26-29-32-39(44)40(45)41-37(35-49-50(46,47)48-34-33-42(4,5)6)38(43)31-28-25-22-20-17-18-21-24-27-30-36(2)3/h28,31,36-39,43-44H,7-27,29-30,32-35H2,1-6H3,(H-,41,45,46,47)/b31-28+/t37-,38+,39?/m0/s1
InChIKey LPSAVWCDKGBKCC-JORKQJRBSA-N
SMILES CCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)\C=C\CCCCCCCCCC(C)C
ChEBI Ontology
Outgoing N-(2-hydroxyoctadecanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70890) has functional parent 15-methylhexadecasphing-4-enine (CHEBI:70798)
N-(2-hydroxyoctadecanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70890) is a N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70775)
Last Modified
21 November 2012