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CHEBI:72560 - Ins-1-P-Cer(d20:0/28:0)(1−)

ChEBI IDCHEBI:72560
ChEBI NameIns-1-P-Cer(d20:0/28:0)(1−)
Stars
ASCII NameIns-1-P-Cer(d20:0/28:0)(1-)
DefinitionAn inositol C20 phosphodihydroceramide(1−) in which the N-acyl group is specified as octacosanoyl; major species at pH 7.3.
Last Modified11 April 2014
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC54H107NO11P
Net Charge-1
Average Mass977.420
Monoisotopic Mass976.75872
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=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/C54H108NO11P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-44-48(57)55-46(45-65-67(63,64)66-54-52(61)50(59)49(58)51(60)53(54)62)47(56)43-41-39-37-35-33-31-29-18-16-14-12-10-8-6-4-2/h46-47,49-54,56,58-62H,3-45H2,1-2H3,(H,55,57)(H,63,64)/p-1/t46-,47+,49-,50-,51+,52+,53+,54-/m0/s1
InChIKeyQABBWXXWMDJNJE-QAFRALNUSA-M
ChEBI Ontology
Outgoing Relation(s)
Ins-1-P-Cer(d20:0/28:0)(1−) (CHEBI:72560) is a inositol C20 phosphodihydroceramide(1−) (CHEBI:72460)
IUPAC Name 
(2S,3R)-3-hydroxy-2-(octacosanoylamino)icosyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate
Synonyms  Source
IPC-A 20:0/28:0SUBMITTER
inositol-P-ceramide-A (20:0/28:0)SUBMITTER