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CHEBI:70925 - N-(2-hydroxytricosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine

ChEBI IDCHEBI:70925
ChEBI NameN-(2-hydroxytricosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine
Stars
ASCII NameN-(2-hydroxytricosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine
DefinitionAn N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine in which the acyl group has 23 carbons and 0 double bonds and is 2-hydroxylated.
Last Modified22 November 2012
SubmitterAlan Bridge
DownloadsMolfile
FormulaC45H91N2O7P
Net Charge0
Average Mass803.204
Monoisotopic Mass802.65639
SMILESCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)/C=C/CCCCCCCCCC(C)C
InChIInChI=1S/C45H91N2O7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-28-31-34-37-44(49)45(50)46-42(40-54-55(51,52)53-39-38-47(4,5)6)43(48)36-33-30-27-25-22-23-26-29-32-35-41(2)3/h33,36,41-44,48-49H,7-32,34-35,37-40H2,1-6H3,(H-,46,50,51,52)/b36-33+/t42-,43+,44?/m0/s1
InChIKeyMSUJCUBAPPVHSN-MZYGHCORSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(2-hydroxytricosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70925) has functional parent 15-methylhexadecasphing-4-enine (CHEBI:70798)
N-(2-hydroxytricosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70925) is a N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70775)