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CHEBI:70955 - N-octacosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine

Default Structure
ChEBI IDCHEBI:70955
ChEBI NameN-octacosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine
Stars
ASCII NameN-octacosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine
DefinitionAn N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine in which the acyl group has 28 carbons and 0 double bonds.
Last Modified22 November 2012
SubmitterAlan Bridge
DownloadsMolfile
FormulaC50H103N2O7P
Net Charge0
Average Mass875.355
Monoisotopic Mass874.75029
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C
InChIInChI=1S/C50H103N2O7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-33-36-39-42-49(54)51-47(45-59-60(56,57)58-44-43-52(4,5)6)50(55)48(53)41-38-35-32-30-29-31-34-37-40-46(2)3/h46-48,50,53,55H,7-45H2,1-6H3,(H-,51,54,56,57)/t47-,48+,50-/m0/s1
InChIKeyPGHYEQDODATLLZ-ITVUJDHZSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
N-octacosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70955) is a N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70776)
N-octacosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70955) is a 15-methylhexadecaphytosphingosine (CHEBI:70968)
Synonym  Source
4-hydroxy-15-methyl-N-octacosanoylhexadecasphinganine-1-phosphocholineChEBI