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CHEBI:70941 - N-(2-hydroxytetracosanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine

ChEBI IDCHEBI:70941
ChEBI NameN-(2-hydroxytetracosanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine
Stars
ASCII NameN-(2-hydroxytetracosanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine
DefinitionAn N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine in which the acyl group has 24 carbons and 0 double bonds and is 2-hydroxylated.
Last Modified22 November 2012
SubmitterAlan Bridge
DownloadsMolfile
FormulaC46H95N2O8P
Net Charge0
Average Mass835.246
Monoisotopic Mass834.68260
SMILESCCCCCCCCCCCCCCCCCCCCCCC(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/C46H95N2O8P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28-31-34-37-44(50)46(52)47-42(40-56-57(53,54)55-39-38-48(4,5)6)45(51)43(49)36-33-30-27-25-24-26-29-32-35-41(2)3/h41-45,49-51H,7-40H2,1-6H3,(H-,47,52,53,54)/t42-,43+,44?,45-/m0/s1
InChIKeyHKIXQBGDVZKKDK-NKRIFVGSSA-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-(2-hydroxytetracosanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70941) is a N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70776)
N-(2-hydroxytetracosanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70941) is a 15-methylhexadecaphytosphingosine (CHEBI:70968)
Synonym  Source
4-hydroxy-N-(2-hydroxytetracosanoyl)-15-methylhexadecasphinganine-1-phosphocholineChEBI