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CHEBI:72550 - Ins-1-P-Cer(d18:0/22:0)(1−)

Default Structure
ChEBI IDCHEBI:72550
ChEBI NameIns-1-P-Cer(d18:0/22:0)(1−)
Stars
ASCII NameIns-1-P-Cer(d18:0/22:0)(1-)
DefinitionAn inositol phosphodihydroceramide(1−) in which the N-acyl group is specified as docosanoyl; major species at pH 7.3.
Last Modified11 April 2014
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC46H91NO11P
Net Charge-1
Average Mass865.204
Monoisotopic Mass864.63352
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC
InChIInChI=1S/C46H92NO11P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-40(49)47-38(39(48)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)37-57-59(55,56)58-46-44(53)42(51)41(50)43(52)45(46)54/h38-39,41-46,48,50-54H,3-37H2,1-2H3,(H,47,49)(H,55,56)/p-1/t38-,39+,41-,42-,43+,44+,45+,46-/m0/s1
InChIKeyXKDQGRLSOXNYKK-QNNODMADSA-M
ChEBI Ontology
Outgoing Relation(s)
Ins-1-P-Cer(d18:0/22:0)(1−) (CHEBI:72550) has functional parent N-docosanoylsphinganine (CHEBI:67021)
Ins-1-P-Cer(d18:0/22:0)(1−) (CHEBI:72550) is a inositol phosphodihydroceramide(1−) (CHEBI:64941)
Ins-1-P-Cer(d18:0/22:0)(1−) (CHEBI:72550) is a Ins-1-P-Cer-A 40:0(1−) (CHEBI:75479)
IUPAC Name 
(2S,3R)-2-(docosanoylamino)-3-hydroxyoctadecyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate
Synonyms  Source
inositol-P-ceramide-A (18:0/22:0)SUBMITTER
inositol-P-ceramide-A (C22)SUBMITTER
IPC-1 (C22)SUBMITTER
IPC-A 18:0/22:0SUBMITTER
IPC-A (C22)SUBMITTER