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CHEBI:70954 - N-(2-hydroxyoctacosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine

ChEBI IDCHEBI:70954
ChEBI NameN-(2-hydroxyoctacosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine
Stars
ASCII NameN-(2-hydroxyoctacosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine
DefinitionAn N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine in which the acyl group has 28 carbons and 0 double bonds and is 2-hydroxylated.
Last Modified22 November 2012
SubmitterAlan Bridge
DownloadsMolfile
FormulaC50H101N2O7P
Net Charge0
Average Mass873.339
Monoisotopic Mass872.73464
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)/C=C/CCCCCCCCCC(C)C
InChIInChI=1S/C50H101N2O7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-33-36-39-42-49(54)50(55)51-47(45-59-60(56,57)58-44-43-52(4,5)6)48(53)41-38-35-32-30-27-28-31-34-37-40-46(2)3/h38,41,46-49,53-54H,7-37,39-40,42-45H2,1-6H3,(H-,51,55,56,57)/b41-38+/t47-,48+,49?/m0/s1
InChIKeyMMXDHXXKUJLSPP-YZIFOBIISA-N
ChEBI Ontology
Outgoing Relation(s)
N-(2-hydroxyoctacosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70954) has functional parent 15-methylhexadecasphing-4-enine (CHEBI:70798)
N-(2-hydroxyoctacosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70954) is a N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70775)