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CHEBI:72547 - Ins-1-P-Cer(d18:0/16:0)(1−)

Default Structure
ChEBI IDCHEBI:72547
ChEBI NameIns-1-P-Cer(d18:0/16:0)(1−)
Stars
ASCII NameIns-1-P-Cer(d18:0/16:0)(1-)
DefinitionAn inositol phosphodihydroceramide(1−) in which the N-acyl group is specified as hexanoyl; major species at pH 7.3.
Last Modified11 April 2014
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC40H79NO11P
Net Charge-1
Average Mass781.042
Monoisotopic Mass780.53962
SMILESCCCCCCCCCCCCCCCC(=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/C40H80NO11P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(42)32(31-51-53(49,50)52-40-38(47)36(45)35(44)37(46)39(40)48)41-34(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32-33,35-40,42,44-48H,3-31H2,1-2H3,(H,41,43)(H,49,50)/p-1/t32-,33+,35-,36-,37+,38+,39+,40-/m0/s1
InChIKeyZIRQNJUXZWGHLD-FLTMMBLOSA-M
ChEBI Ontology
Outgoing Relation(s)
Ins-1-P-Cer(d18:0/16:0)(1−) (CHEBI:72547) has functional parent N-hexadecanoylsphinganine (CHEBI:67042)
Ins-1-P-Cer(d18:0/16:0)(1−) (CHEBI:72547) is a inositol phosphodihydroceramide(1−) (CHEBI:64941)
Ins-1-P-Cer(d18:0/16:0)(1−) (CHEBI:72547) is a Ins-1-P-Cer-A 34:0(1−) (CHEBI:75476)
IUPAC Name 
(2S,3R)-2-(hexadecanoylamino)-3-hydroxyoctadecyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate
Synonyms  Source
inositol-P-ceramide-A (18:0/16:0)SUBMITTER
inositol-P-ceramide-A (C16)SUBMITTER
IPC-1 (C16)SUBMITTER
IPC-A 18:0/16:0SUBMITTER
IPC-A (C16)SUBMITTER