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CHEBI:70912 - N-henicosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine

ChEBI IDCHEBI:70912
ChEBI NameN-henicosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine
Stars
ASCII NameN-henicosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine
DefinitionAn N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine in which the acyl group has 21 carbons and 0 double bonds.
Last Modified21 November 2012
SubmitterAlan Bridge
DownloadsMolfile
FormulaC43H89N2O7P
Net Charge0
Average Mass777.166
Monoisotopic Mass776.64074
SMILESCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C
InChIInChI=1S/C43H89N2O7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-29-32-35-42(47)44-40(38-52-53(49,50)51-37-36-45(4,5)6)43(48)41(46)34-31-28-25-23-22-24-27-30-33-39(2)3/h39-41,43,46,48H,7-38H2,1-6H3,(H-,44,47,49,50)/t40-,41+,43-/m0/s1
InChIKeyILXLWZXMPXDRTR-MUUZQFHDSA-N
ChEBI Ontology
Outgoing Relation(s)
N-henicosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70912) has functional parent 15-methylhexadecaphytosphingosine (CHEBI:70968)
N-henicosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70912) is a N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70776)
Synonym  Source
N-heneicosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholineChEBI