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CHEBI:72552 - Ins-1-P-Cer(d18:0/30:0)(1−)

Default Structure
ChEBI IDCHEBI:72552
ChEBI NameIns-1-P-Cer(d18:0/30:0)(1−)
Stars
ASCII NameIns-1-P-Cer(d18:0/30:0)(1-)
DefinitionAn inositol phosphodihydroceramide(1−) in which the N-acyl group is specified as tricontanoyl; major species at pH 7.3.
Last Modified11 April 2014
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC54H107NO11P
Net Charge-1
Average Mass977.420
Monoisotopic Mass976.75872
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)CCCCCCCCCCCCCCC
InChIInChI=1S/C54H108NO11P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-48(57)55-46(47(56)43-41-39-37-35-33-31-16-14-12-10-8-6-4-2)45-65-67(63,64)66-54-52(61)50(59)49(58)51(60)53(54)62/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
InChIKeyZDSHRWXBRBAPCV-QAFRALNUSA-M
ChEBI Ontology
Outgoing Relation(s)
Ins-1-P-Cer(d18:0/30:0)(1−) (CHEBI:72552) is a inositol phosphodihydroceramide(1−) (CHEBI:64941)
IUPAC Name 
(2S,3R)-3-hydroxy-2-(triacontanoylamino)octadecyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate
Synonyms  Source
inositol-P-ceramide-A (18:0/30:0)SUBMITTER
inositol-P-ceramide-A (C30)SUBMITTER
IPC-1 (C30)SUBMITTER
IPC-A 18:0/30:0SUBMITTER
IPC-A (C30)SUBMITTER