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CHEBI:72553 - Ins-1-P-Cer(d20:0/14:0)(1−)

Default Structure
ChEBI IDCHEBI:72553
ChEBI NameIns-1-P-Cer(d20:0/14:0)(1−)
Stars
ASCII NameIns-1-P-Cer(d20:0/14:0)(1-)
DefinitionAn inositol inositol C20 phosphodihydroceramide(1−) in which the N-acyl group is specified as myristoyl; major species at pH 7.3.
Last Modified11 April 2014
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC40H79NO11P
Net Charge-1
Average Mass781.042
Monoisotopic Mass780.53962
SMILESCCCCCCCCCCCCCCCCC[C@@H](O)[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C40H80NO11P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-33(42)32(41-34(43)30-28-26-24-22-19-14-12-10-8-6-4-2)31-51-53(49,50)52-40-38(47)36(45)35(44)37(46)39(40)48/h32-33,35-40,42,44-48H,3-31H2,1-2H3,(H,41,43)(H,49,50)/p-1/t32-,33+,35-,36-,37+,38+,39+,40-/m0/s1
InChIKeyNUJSLMICTSILAE-FLTMMBLOSA-M
ChEBI Ontology
Outgoing Relation(s)
Ins-1-P-Cer(d20:0/14:0)(1−) (CHEBI:72553) is a inositol C20 phosphodihydroceramide(1−) (CHEBI:72460)
Ins-1-P-Cer(d20:0/14:0)(1−) (CHEBI:72553) is a Ins-1-P-Cer-A 34:0(1−) (CHEBI:75476)
IUPAC Name 
(2S,3R)-3-hydroxy-2-(tetradecanoylamino)icosyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate
Synonyms  Source
inositol-P-ceramide-A (20:0/14:0)SUBMITTER
IPC-A 20:0/14:0SUBMITTER