EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:77171 - GCK152

ChEBI IDCHEBI:77171
ChEBI NameGCK152
Stars
DefinitionA C-glycosylphytoceramide consisting of 1-O-(α-D-galactopyranosyl)-N-(8-phenyloctanoyl)phytosphingosine with the anomeric oxygen replaced by a methylylidene group.
Last Modified12 March 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC39H67NO8
Net Charge0
Average Mass677.964
Monoisotopic Mass677.48667
SMILESCCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](/C=C/[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCc1ccccc1
InChIInChI=1S/C39H67NO8/c1-2-3-4-5-6-7-8-9-10-11-14-20-25-32(42)36(44)31(27-28-33-37(45)39(47)38(46)34(29-41)48-33)40-35(43)26-21-15-12-13-17-22-30-23-18-16-19-24-30/h16,18-19,23-24,27-28,31-34,36-39,41-42,44-47H,2-15,17,20-22,25-26,29H2,1H3,(H,40,43)/b28-27+/t31-,32+,33+,34+,36-,37-,38-,39+/m0/s1
InChIKeyRWGUVAAXYHWJFZ-CSYYKWSVSA-N
Roles Classification
Biological Role:
ceramide allergen  Any ceramide which causes the onset of an allergic reaction.
ChEBI Ontology
Outgoing Relation(s)
GCK152 (CHEBI:77171) has role ceramide allergen (CHEBI:143252)
GCK152 (CHEBI:77171) is a C-glycosylphytoceramide (CHEBI:60910)
IUPAC Name 
(1R)-1,5-anhydro-1-{(1E,3S,4S,5R)-4,5-dihydroxy-3-[(8-phenyloctanoyl)amino]nonadec-1-en-1-yl}-D-galactitol
Registry NumbersSources
Reaxys:13041123Reaxys
Citations