EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:77162 - GCK127

ChEBI IDCHEBI:77162
ChEBI NameGCK127
Stars
DefinitionA C-glycosylphytoceramide consisting of 1-O-(α-D-galactopyranosyl)-N-nonacosanoylphytosphingosine with the anomeric oxygen replaced by a methylylidene group.
Last Modified12 March 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC54H105NO8
Net Charge0
Average Mass896.433
Monoisotopic Mass895.78402
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](/C=C/[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
InChIInChI=1S/C54H105NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-50(58)55-46(43-44-48-52(60)54(62)53(61)49(45-56)63-48)51(59)47(57)41-39-37-35-33-31-16-14-12-10-8-6-4-2/h43-44,46-49,51-54,56-57,59-62H,3-42,45H2,1-2H3,(H,55,58)/b44-43+/t46-,47+,48+,49+,51-,52-,53-,54+/m0/s1
InChIKeyCSICITALHNIXPU-MSSILZRDSA-N
Roles Classification
Biological Role:
ceramide allergen  Any ceramide which causes the onset of an allergic reaction.
ChEBI Ontology
Outgoing Relation(s)
GCK127 (CHEBI:77162) has role ceramide allergen (CHEBI:143252)
GCK127 (CHEBI:77162) is a C-glycosylphytoceramide (CHEBI:60910)
IUPAC Name 
(1R)-1,5-anhydro-1-[(1E,3S,4S,5R)-4,5-dihydroxy-3-(nonacosanoylamino)nonadec-1-en-1-yl]-D-galactitol
Synonym  Source
(3S,4S,5R)-1-C-(α-D-galactopyranosyl)-3-(N-nonacosanoylamino)-4,5-nonadec-1,2(E)-enediolChEBI
Registry NumbersSources
Reaxys:13041199Reaxys
Citations