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CHEBI:70899 - N-(2-hydroxyoctadecanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine

ChEBI IDCHEBI:70899
ChEBI NameN-(2-hydroxyoctadecanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine
Stars
ASCII NameN-(2-hydroxyoctadecanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine
DefinitionAn N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine in which the acyl group has 18 carbons and 0 double bonds and is 2-hydroxylated.
Last Modified21 November 2012
SubmitterAlan Bridge
DownloadsMolfile
FormulaC40H83N2O8P
Net Charge0
Average Mass751.084
Monoisotopic Mass750.58870
SMILESCCCCCCCCCCCCCCCCC(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/C40H83N2O8P/c1-7-8-9-10-11-12-13-14-15-16-17-22-25-28-31-38(44)40(46)41-36(34-50-51(47,48)49-33-32-42(4,5)6)39(45)37(43)30-27-24-21-19-18-20-23-26-29-35(2)3/h35-39,43-45H,7-34H2,1-6H3,(H-,41,46,47,48)/t36-,37+,38?,39-/m0/s1
InChIKeyIAXLOHKYAJTFFM-JTSUEBPGSA-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-hydroxyoctadecanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70899) is a N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70776)
N-(2-hydroxyoctadecanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70899) is a 15-methylhexadecaphytosphingosine (CHEBI:70968)
Synonym  Source
4-hydroxy-N-(2-hydroxyoctadecanoyl)-15-methylhexadecasphinganine-1-phosphocholineChEBI