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CHEBI:72557 - Ins-1-P-Cer(d20:0/22:0)(1−)

ChEBI IDCHEBI:72557
ChEBI NameIns-1-P-Cer(d20:0/22:0)(1−)
Stars
ASCII NameIns-1-P-Cer(d20:0/22:0)(1-)
DefinitionAn inositol C20 phosphodihydroceramide(1−) in which the N-acyl group is specified as docosanoyl; major species at pH 7.3.
Last Modified11 April 2014
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC48H95NO11P
Net Charge-1
Average Mass893.258
Monoisotopic Mass892.66482
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)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C48H96NO11P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-42(51)49-40(39-59-61(57,58)60-48-46(55)44(53)43(52)45(54)47(48)56)41(50)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h40-41,43-48,50,52-56H,3-39H2,1-2H3,(H,49,51)(H,57,58)/p-1/t40-,41+,43-,44-,45+,46+,47+,48-/m0/s1
InChIKeyLBXHERMJNLUPOE-LOTZUYGHSA-M
ChEBI Ontology
Outgoing Relation(s)
Ins-1-P-Cer(d20:0/22:0)(1−) (CHEBI:72557) is a inositol C20 phosphodihydroceramide(1−) (CHEBI:72460)
Ins-1-P-Cer(d20:0/22:0)(1−) (CHEBI:72557) is a Ins-1-P-Cer-A 42:0(1−) (CHEBI:75480)
IUPAC Name 
(2S,3R)-2-(docosanoylamino)-3-hydroxyicosyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate
Synonyms  Source
IPC-A 20:0/22:0SUBMITTER
inositol-P-ceramide-A (20:0/22:0)SUBMITTER