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

ChEBI IDCHEBI:70891
ChEBI NameN-octadecanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine
Stars
ASCII NameN-octadecanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine
DefinitionAn N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine in which the acyl group has 18 carbons and 0 double bonds.
Last Modified21 November 2012
SubmitterAlan Bridge
DownloadsMolfile
FormulaC40H83N2O7P
Net Charge0
Average Mass735.085
Monoisotopic Mass734.59379
SMILESCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C
InChIInChI=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
InChIKeyFFBLTPOQVUBIBU-HIERITDVSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
N-octadecanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70891) is a N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70776)
N-octadecanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70891) is a 15-methylhexadecaphytosphingosine (CHEBI:70968)
Synonym  Source
4-hydroxy-15-methyl-N-octadecanoylhexadecasphinganine-1-phosphocholineChEBI