CHEBI:70926 - N-tricosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-tricosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine
ChEBI ID CHEBI:70926
ChEBI ASCII Name N-tricosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine
Definition An N-acyl-4-hydroxy-15-methylhexadecasphinganine-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 ZINC000000004360
Download Molfile XML SDF
Formula C45H93N2O7P
Net Charge 0
Average Mass 805.20290
Monoisotopic Mass 804.67204
InChI InChI=1S/C45H93N2O7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28-31-34-37-44(49)46-42(40-54-55(51,52)53-39-38-47(4,5)6)45(50)43(48)36-33-30-27-25-24-26-29-32-35-41(2)3/h41-43,45,48,50H,7-40H2,1-6H3,(H-,46,49,51,52)/t42-,43+,45-/m0/s1
InChIKey DDPYBJXAOQDGBV-LKFPOFNCSA-N
SMILES CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C
ChEBI Ontology
Outgoing N-tricosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70926) is a N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70776)
Synonym Source
4-hydroxy-15-methyl-N-tricosanoylhexadecasphinganine-1-phosphocholine ChEBI
Last Modified
22 November 2012