CHEBI:72334 - 1-O-(α-D-galactopyranosyl)-N-pamitoylphytosphingosine

ChEBI IDCHEBI:72334
ChEBI Name1-O-(α-D-galactopyranosyl)-N-pamitoylphytosphingosine
Stars
ASCII Name1-O-(alpha-D-galactopyranosyl)-N-pamitoylphytosphingosine
DefinitionA glycophytoceramide having an α-D-galactopyranosyl residue at the O-1 position and a palmitoyl (hexadecanoyl) group attached to the nitrogen.
Last Modified12 February 2013
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC40H79NO9
Net Charge0
Average Mass718.070
Monoisotopic Mass717.57548
SMILESCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
InChIInChI=1S/C40H79NO9/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(44)41-32(31-49-40-39(48)38(47)37(46)34(30-42)50-40)36(45)33(43)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32-34,36-40,42-43,45-48H,3-31H2,1-2H3,(H,41,44)/t32-,33+,34+,36-,37-,38-,39+,40-/m0/s1
InChIKeyHRAAKPGXJOTHIU-WVLAUNTOSA-N
Roles Classification
Biological Roles:
epitope  The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
1-O-(α-D-galactopyranosyl)-N-pamitoylphytosphingosine (CHEBI:72334) has functional parent α-D-galactose (CHEBI:28061)
1-O-(α-D-galactopyranosyl)-N-pamitoylphytosphingosine (CHEBI:72334) has role epitope (CHEBI:53000)
1-O-(α-D-galactopyranosyl)-N-pamitoylphytosphingosine (CHEBI:72334) is a glycophytoceramide (CHEBI:59389)
IUPAC Name 
N-[(2S,3S,4R)-1-(α-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]hexadecanamide
Synonyms  Source
(2R,3S,4S)-1-O-(α-D-galactopyarnosyl)-2-palmitoylamino-1,3,4-octadecanetriolChEBI
C16:0-αGalCerChEBI
C16:0-αGalCerChEBI
Manual XrefsDatabases
US52316Patent
4F7EPDB
Registry NumbersSources
Reaxys:9892881Reaxys
Citations