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CHEBI:72559 - Ins-1-P-Cer(d20:0/26:0)(1−)

ChEBI IDCHEBI:72559
ChEBI NameIns-1-P-Cer(d20:0/26:0)(1−)
Stars
ASCII NameIns-1-P-Cer(d20:0/26:0)(1-)
DefinitionAn inositol C20 phosphodihydroceramide(1−) in which the N-acyl group is specified as hexacosanoyl; major species at pH 7.3.
Last Modified11 April 2014
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC52H103NO11P
Net Charge-1
Average Mass949.366
Monoisotopic Mass948.72742
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(=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/C52H104NO11P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-42-46(55)53-44(43-63-65(61,62)64-52-50(59)48(57)47(56)49(58)51(52)60)45(54)41-39-37-35-33-31-29-27-18-16-14-12-10-8-6-4-2/h44-45,47-52,54,56-60H,3-43H2,1-2H3,(H,53,55)(H,61,62)/p-1/t44-,45+,47-,48-,49+,50+,51+,52-/m0/s1
InChIKeyHEMBZZZIBPHUNE-OSOATLSDSA-M
ChEBI Ontology
Outgoing Relation(s)
Ins-1-P-Cer(d20:0/26:0)(1−) (CHEBI:72559) is a inositol C20 phosphodihydroceramide(1−) (CHEBI:72460)
Ins-1-P-Cer(d20:0/26:0)(1−) (CHEBI:72559) is a Ins-1-P-Cer-A 46:0(1−) (CHEBI:75482)
IUPAC Name 
(2S,3R)-2-(hexacosanoylamino)-3-hydroxyicosyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate
Synonyms  Source
IPC-A 20:0/26:0SUBMITTER
inositol-P-ceramide-A (20:0/26:0)SUBMITTER