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CHEBI:76097 - 1-O-{6-O-[(4-chlorophenyl)carbamoyl]-α-D-galactopyranosyl}-N-hexacosanoylphytosphingosine

ChEBI IDCHEBI:76097
ChEBI Name1-O-{6-O-[(4-chlorophenyl)carbamoyl]-α-D-galactopyranosyl}-N-hexacosanoylphytosphingosine
Stars
ASCII Name1-O-{6-O-[(4-chlorophenyl)carbamoyl]-alpha-D-galactopyranosyl}-N-hexacosanoylphytosphingosine
DefinitionA glycophytoceramide having a 6-O-[(4-chlorophenyl)carbamoyl]-α-D-galactopyranosyl residue at the O-1 position and an hexacosanoyl group attached to the nitrogen.
Last Modified28 October 2013
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC57H103ClN2O10
Net Charge0
Average Mass1011.908
Monoisotopic Mass1010.73013
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](COC(=O)Nc2ccc(Cl)cc2)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
InChIInChI=1S/C57H103ClN2O10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-51(62)60-48(52(63)49(61)38-36-34-32-30-28-16-14-12-10-8-6-4-2)44-68-56-55(66)54(65)53(64)50(70-56)45-69-57(67)59-47-42-40-46(58)41-43-47/h40-43,48-50,52-56,61,63-66H,3-39,44-45H2,1-2H3,(H,59,67)(H,60,62)/t48-,49+,50+,52-,53-,54-,55+,56-/m0/s1
InChIKeyMAGJZLBUXUBUBN-FNBNLLHXSA-N
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
1-O-{6-O-[(4-chlorophenyl)carbamoyl]-α-D-galactopyranosyl}-N-hexacosanoylphytosphingosine (CHEBI:76097) is a glycophytoceramide (CHEBI:59389)
IUPAC Name 
N-[(2S,3S,4R)-1-{6-O-[(4-chlorophenyl)carbamoyl]-α-D-galactopyranosyloxy}-3,4-dihydroxyoctadecan-2-yl]hexacosanamide
Synonyms  Source
α-GalCer-6"-(4-chlorophenyl)carbamateChEBI
4ClPhC-α-GalCerChEBI
Manual XrefsDatabases
1L9PDBeChem
Citations