CHEBI:72550 - Ins-1-P-Cer(d18:0/22:0)(1−)

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ChEBI Name Ins-1-P-Cer(d18:0/22:0)(1−)
ChEBI ID CHEBI:72550
ChEBI ASCII Name Ins-1-P-Cer(d18:0/22:0)(1-)
Definition An inositol phosphodihydroceramide(1−) in which the N-acyl group is specified as docosanoyl; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter AnneNiknejad
Supplier Information
Download Molfile XML SDF
Formula C46H91NO11P
Net Charge -1
Average Mass 865.18920
Monoisotopic Mass 864.63352
InChI InChI=1S/C46H92NO11P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-40(49)47-38(39(48)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)37-57-59(55,56)58-46-44(53)42(51)41(50)43(52)45(46)54/h38-39,41-46,48,50-54H,3-37H2,1-2H3,(H,47,49)(H,55,56)/p-1/t38-,39+,41-,42-,43+,44+,45+,46-/m0/s1
InChIKey XKDQGRLSOXNYKK-QNNODMADSA-M
SMILES CCCCCCCCCCCCCCCCCCCCCC(=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
ChEBI Ontology
Outgoing Ins-1-P-Cer(d18:0/22:0)(1−) (CHEBI:72550) has functional parent N-docosanoylsphinganine (CHEBI:67021)
Ins-1-P-Cer(d18:0/22:0)(1−) (CHEBI:72550) is a inositol phosphodihydroceramide(1−) (CHEBI:64941)
Ins-1-P-Cer(d18:0/22:0)(1−) (CHEBI:72550) is a Ins-1-P-Cer-A 40:0(1−) (CHEBI:75479)
IUPAC Name
(2S,3R)-2-(docosanoylamino)-3-hydroxyoctadecyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate
Synonyms Sources
inositol-P-ceramide-A (18:0/22:0) SUBMITTER
inositol-P-ceramide-A (C22) SUBMITTER
IPC-1 (C22) SUBMITTER
IPC-A (C22) SUBMITTER
IPC-A 18:0/22:0 SUBMITTER
Last Modified
11 April 2014