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CHEBI:72549 - Ins-1-P-Cer(d18:0/20:0)(1−)

Default Structure
ChEBI IDCHEBI:72549
ChEBI NameIns-1-P-Cer(d18:0/20:0)(1−)
Stars
ASCII NameIns-1-P-Cer(d18:0/20:0)(1-)
DefinitionAn inositol phosphodihydroceramide(1−) in which the N-acyl group is specified as icosanoyl; major species at pH 7.3.
Last Modified11 April 2014
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC44H87NO11P
Net Charge-1
Average Mass837.150
Monoisotopic Mass836.60222
SMILESCCCCCCCCCCCCCCCCCCCC(=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/C44H88NO11P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-38(47)45-36(37(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)35-55-57(53,54)56-44-42(51)40(49)39(48)41(50)43(44)52/h36-37,39-44,46,48-52H,3-35H2,1-2H3,(H,45,47)(H,53,54)/p-1/t36-,37+,39-,40-,41+,42+,43+,44-/m0/s1
InChIKeyMGOSIQPUTOHGQS-MJFIMMJPSA-M
ChEBI Ontology
Outgoing Relation(s)
Ins-1-P-Cer(d18:0/20:0)(1−) (CHEBI:72549) has functional parent N-eicosanoylsphinganine (CHEBI:67027)
Ins-1-P-Cer(d18:0/20:0)(1−) (CHEBI:72549) is a inositol phosphodihydroceramide(1−) (CHEBI:64941)
Ins-1-P-Cer(d18:0/20:0)(1−) (CHEBI:72549) is a Ins-1-P-Cer-A 38:0(1−) (CHEBI:75478)
IUPAC Name 
(2S,3R)-3-hydroxy-2-(icosanoylamino)octadecyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate
Synonyms  Source
inositol-P-ceramide-A (18:0/20:0)SUBMITTER
inositol-P-ceramide-A (C20)SUBMITTER
IPC-1 (C20)SUBMITTER
IPC-A 18:0/20:0SUBMITTER
IPC-A (C20)SUBMITTER