CHEBI:70891 - N-octadecanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine

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ChEBI Name N-octadecanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine
ChEBI ID CHEBI:70891
ChEBI ASCII Name N-octadecanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine
Definition An N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine in which the acyl group has 18 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 C40H83N2O7P
Net Charge 0
Average Mass 735.07000
Monoisotopic Mass 734.59379
InChI InChI=1S/C40H83N2O7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-23-26-29-32-39(44)41-37(35-49-50(46,47)48-34-33-42(4,5)6)40(45)38(43)31-28-25-22-20-19-21-24-27-30-36(2)3/h36-38,40,43,45H,7-35H2,1-6H3,(H-,41,44,46,47)/t37-,38+,40-/m0/s1
InChIKey FFBLTPOQVUBIBU-HIERITDVSA-N
SMILES CCCCCCCCCCCCCCCCCC(=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-octadecanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70891) is a 15-methylhexadecaphytosphingosine (CHEBI:70968)
N-octadecanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70891) is a N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70776)
Synonym Source
4-hydroxy-15-methyl-N-octadecanoylhexadecasphinganine-1-phosphocholine ChEBI
Last Modified
21 November 2012