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CHEBI:72561 - Ins-1-P-Cer(d20:0/30:0)(1−)

ChEBI IDCHEBI:72561
ChEBI NameIns-1-P-Cer(d20:0/30:0)(1−)
Stars
ASCII NameIns-1-P-Cer(d20:0/30:0)(1-)
DefinitionAn inositol C20 phosphodihydroceramide(1−) in which the N-acyl group is specified as tricontanoyl; major species at pH 7.3.
Last Modified11 April 2014
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC56H111NO11P
Net Charge-1
Average Mass1005.474
Monoisotopic Mass1004.79002
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=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/C56H112NO11P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-46-50(59)57-48(47-67-69(65,66)68-56-54(63)52(61)51(60)53(62)55(56)64)49(58)45-43-41-39-37-35-33-31-18-16-14-12-10-8-6-4-2/h48-49,51-56,58,60-64H,3-47H2,1-2H3,(H,57,59)(H,65,66)/p-1/t48-,49+,51-,52-,53+,54+,55+,56-/m0/s1
InChIKeyRQMAVRPBPQCOQQ-LYNYOQRDSA-M
ChEBI Ontology
Outgoing Relation(s)
Ins-1-P-Cer(d20:0/30:0)(1−) (CHEBI:72561) is a inositol C20 phosphodihydroceramide(1−) (CHEBI:72460)
IUPAC Name 
(2S,3R)-3-hydroxy-2-(triacontanoylamino)icosyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate
Synonyms  Source
IPC-A 20:0/30:0SUBMITTER
inositol-P-ceramide-A (20:0/30:0)SUBMITTER