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CHEBI:140669 - 1-O-[6-O-(3-phenylpropanoyl)-α-D-galactosyl]-N-hexacosanoylphytosphingosine

ChEBI IDCHEBI:140669
ChEBI Name1-O-[6-O-(3-phenylpropanoyl)-α-D-galactosyl]-N-hexacosanoylphytosphingosine
Stars
ASCII Name1-O-[6-O-(3-phenylpropanoyl)-alpha-D-galactosyl]-N-hexacosanoylphytosphingosine
DefinitionA glycophytoceramide having an 6-O-(3-phenylpropanoyl)-α-D-galactosyl residue at the O-1 position and a hexacosanoyl group attached to the nitrogen; a C6"-modified α-GalCer derivative.
Last Modified4 May 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC59H107NO10
Net Charge0
Average Mass990.502
Monoisotopic Mass989.78950
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](COC(=O)CCc2ccccc2)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
InChIInChI=1S/C59H107NO10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-40-44-53(62)60-50(55(64)51(61)43-39-34-32-30-28-16-14-12-10-8-6-4-2)47-69-59-58(67)57(66)56(65)52(70-59)48-68-54(63)46-45-49-41-37-36-38-42-49/h36-38,41-42,50-52,55-59,61,64-67H,3-35,39-40,43-48H2,1-2H3,(H,60,62)/t50-,51+,52+,55-,56-,57-,58+,59-/m0/s1
InChIKeyPNZLFBBXOZXBHH-IKSYUIOOSA-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-[6-O-(3-phenylpropanoyl)-α-D-galactosyl]-N-hexacosanoylphytosphingosine (CHEBI:140669) has functional parent α-D-galactose (CHEBI:28061)
1-O-[6-O-(3-phenylpropanoyl)-α-D-galactosyl]-N-hexacosanoylphytosphingosine (CHEBI:140669) has role epitope (CHEBI:53000)
1-O-[6-O-(3-phenylpropanoyl)-α-D-galactosyl]-N-hexacosanoylphytosphingosine (CHEBI:140669) is a glycophytoceramide (CHEBI:59389)
IUPAC Name 
N-[(2S,3S,4R)-3,4-dihydroxy-1-{[6-O-(3-phenylpropanoyl)-α-D-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide
Synonyms  Source
1-O-[6-O-(3-phenylpropanoyl)-α-D-galactopyranosyl]-N-hexacosanoylphytosphingosineIUPAC
AH15-1ChEBI
Citations