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CHEBI:72548 - Ins-1-P-Cer(d18:0/18:0)(1−)

ChEBI IDCHEBI:72548
ChEBI NameIns-1-P-Cer(d18:0/18:0)(1−)
Stars
ASCII NameIns-1-P-Cer(d18:0/18:0)(1-)
DefinitionAn inositol phosphodihydroceramide(1−) in which the N-acyl group is specified as octadecanoyl; major species at pH 7.3.
Last Modified11 April 2014
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC42H83NO11P
Net Charge-1
Average Mass809.096
Monoisotopic Mass808.57092
SMILESCCCCCCCCCCCCCCCCCC(=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/C42H84NO11P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(45)43-34(35(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)33-53-55(51,52)54-42-40(49)38(47)37(46)39(48)41(42)50/h34-35,37-42,44,46-50H,3-33H2,1-2H3,(H,43,45)(H,51,52)/p-1/t34-,35+,37-,38-,39+,40+,41+,42-/m0/s1
InChIKeyJHXKGBXSGFIMDN-SUCBYGEVSA-M
ChEBI Ontology
Outgoing Relation(s)
Ins-1-P-Cer(d18:0/18:0)(1−) (CHEBI:72548) has functional parent N-octodecanoylsphinganine (CHEBI:67033)
Ins-1-P-Cer(d18:0/18:0)(1−) (CHEBI:72548) is a inositol phosphodihydroceramide(1−) (CHEBI:64941)
Ins-1-P-Cer(d18:0/18:0)(1−) (CHEBI:72548) is a Ins-1-P-Cer-A 36:0(1−) (CHEBI:75477)
IUPAC Name 
(2S,3R)-3-hydroxy-2-(octadecanoylamino)octadecyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate
Synonyms  Source
IPC-A 18:0/18:0SUBMITTER
inositol-P-ceramide-A (18:0/18:0)SUBMITTER
inositol-P-ceramide-A (C18)SUBMITTER
IPC-1 (C18)SUBMITTER
IPC-A (C18)SUBMITTER