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CHEBI:70890 - N-(2-hydroxyoctadecanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine

ChEBI IDCHEBI:70890
ChEBI NameN-(2-hydroxyoctadecanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine
Stars
ASCII NameN-(2-hydroxyoctadecanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine
DefinitionAn N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine in which the acyl group has 18 carbons and 0 double bonds and is 2-hydroxylated.
Last Modified21 November 2012
SubmitterAlan Bridge
DownloadsMolfile
FormulaC40H81N2O7P
Net Charge0
Average Mass733.069
Monoisotopic Mass732.57814
SMILESCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)/C=C/CCCCCCCCCC(C)C
InChIInChI=1S/C40H81N2O7P/c1-7-8-9-10-11-12-13-14-15-16-19-23-26-29-32-39(44)40(45)41-37(35-49-50(46,47)48-34-33-42(4,5)6)38(43)31-28-25-22-20-17-18-21-24-27-30-36(2)3/h28,31,36-39,43-44H,7-27,29-30,32-35H2,1-6H3,(H-,41,45,46,47)/b31-28+/t37-,38+,39?/m0/s1
InChIKeyLPSAVWCDKGBKCC-JORKQJRBSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(2-hydroxyoctadecanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70890) has functional parent 15-methylhexadecasphing-4-enine (CHEBI:70798)
N-(2-hydroxyoctadecanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70890) is a N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70775)