CHEBI:70955 - N-octacosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-octacosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine
ChEBI ID CHEBI:70955
ChEBI ASCII Name N-octacosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine
Definition An N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine in which the acyl group has 28 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 C50H103N2O7P
Net Charge 0
Average Mass 875.33580
Monoisotopic Mass 874.75029
InChI InChI=1S/C50H103N2O7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-33-36-39-42-49(54)51-47(45-59-60(56,57)58-44-43-52(4,5)6)50(55)48(53)41-38-35-32-30-29-31-34-37-40-46(2)3/h46-48,50,53,55H,7-45H2,1-6H3,(H-,51,54,56,57)/t47-,48+,50-/m0/s1
InChIKey PGHYEQDODATLLZ-ITVUJDHZSA-N
SMILES CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N-octacosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70955) is a 15-methylhexadecaphytosphingosine (CHEBI:70968)
N-octacosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70955) is a N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70776)
Synonym Source
4-hydroxy-15-methyl-N-octacosanoylhexadecasphinganine-1-phosphocholine ChEBI
Last Modified
22 November 2012