EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:70948 - N-(2-hydroxypentacosanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine

ChEBI IDCHEBI:70948
ChEBI NameN-(2-hydroxypentacosanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine
Stars
ASCII NameN-(2-hydroxypentacosanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine
DefinitionAn N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine in which the acyl group has 25 carbons and 0 double bonds and is 2-hydroxylated.
Last Modified22 November 2012
SubmitterAlan Bridge
DownloadsMolfile
FormulaC47H97N2O8P
Net Charge0
Average Mass849.273
Monoisotopic Mass848.69825
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C
InChIInChI=1S/C47H97N2O8P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-32-35-38-45(51)47(53)48-43(41-57-58(54,55)56-40-39-49(4,5)6)46(52)44(50)37-34-31-28-26-25-27-30-33-36-42(2)3/h42-46,50-52H,7-41H2,1-6H3,(H-,48,53,54,55)/t43-,44+,45?,46-/m0/s1
InChIKeyVNGVYDUINJVBDL-MSIKBXLWSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(2-hydroxypentacosanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70948) has functional parent 15-methylhexadecaphytosphingosine (CHEBI:70968)
N-(2-hydroxypentacosanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70948) is a N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70776)
Synonym  Source
4-hydroxy-N-(2-hydroxypentacosanoyl)-15-methylhexadecasphinganine-1-phosphocholineChEBI