EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:70919 - N-docosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine

ChEBI IDCHEBI:70919
ChEBI NameN-docosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine
Stars
ASCII NameN-docosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine
DefinitionAn N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine in which the acyl group has 22 carbons and 0 double bonds.
Last Modified22 January 2013
SubmitterAlan Bridge
DownloadsMolfile
FormulaC44H91N2O7P
Net Charge0
Average Mass791.193
Monoisotopic Mass790.65639
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C
InChIInChI=1S/C44H91N2O7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-30-33-36-43(48)45-41(39-53-54(50,51)52-38-37-46(4,5)6)44(49)42(47)35-32-29-26-24-23-25-28-31-34-40(2)3/h40-42,44,47,49H,7-39H2,1-6H3,(H-,45,48,50,51)/t41-,42+,44-/m0/s1
InChIKeyBQCZSGVJMGSOMZ-KZRDWULCSA-N
ChEBI Ontology
Outgoing Relation(s)
N-docosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70919) has functional parent 15-methylhexadecaphytosphingosine (CHEBI:70968)
N-docosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70919) is a N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70776)