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CHEBI:70939 - N-(2-hydroxypentacosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine

ChEBI IDCHEBI:70939
ChEBI NameN-(2-hydroxypentacosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine
Stars
ASCII NameN-(2-hydroxypentacosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine
DefinitionAn N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine in which the acyl group has 25 carbons and 0 double bonds and is 2-hydroxylated.
Last Modified5 March 2013
SubmitterAlan Bridge
DownloadsMolfile
FormulaC47H95N2O7P
Net Charge0
Average Mass831.258
Monoisotopic Mass830.68769
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)/C=C/CCCCCCCCCC(C)C
InChIInChI=1S/C47H95N2O7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-30-33-36-39-46(51)47(52)48-44(42-56-57(53,54)55-41-40-49(4,5)6)45(50)38-35-32-29-27-24-25-28-31-34-37-43(2)3/h35,38,43-46,50-51H,7-34,36-37,39-42H2,1-6H3,(H-,48,52,53,54)/b38-35+/t44-,45+,46?/m0/s1
InChIKeyCCOVPWPRULOZOO-PLACYDAFSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(2-hydroxypentacosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70939) has functional parent 15-methylhexadecasphing-4-enine (CHEBI:70798)
N-(2-hydroxypentacosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70939) is a N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70775)