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CHEBI:140668 - 1-O-[6-O-(3-phenylpropanoyl)-α-D-galactopyranosyl]-N-hexacosanoylsphinganine

ChEBI IDCHEBI:140668
ChEBI Name1-O-[6-O-(3-phenylpropanoyl)-α-D-galactopyranosyl]-N-hexacosanoylsphinganine
Stars
ASCII Name1-O-[6-O-(3-phenylpropanoyl)-alpha-D-galactopyranosyl]-N-hexacosanoylsphinganine
DefinitionA glycodihydroceramide having a 6-O-(3-phenylpropanoyl)-α-D-galactopyranosyl residue at the O-1 position and an hexacosanoyl group attached to the nitrogen; a C6"-modified α-GalCer derivative.
Last Modified4 May 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC59H107NO9
Net Charge0
Average Mass974.503
Monoisotopic Mass973.79458
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)CCCCCCCCCCCCCCC
InChIInChI=1S/C59H107NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-41-45-54(62)60-51(52(61)44-40-35-33-31-29-27-16-14-12-10-8-6-4-2)48-68-59-58(66)57(65)56(64)53(69-59)49-67-55(63)47-46-50-42-38-37-39-43-50/h37-39,42-43,51-53,56-59,61,64-66H,3-36,40-41,44-49H2,1-2H3,(H,60,62)/t51-,52+,53+,56-,57-,58+,59-/m0/s1
InChIKeyROLREGVMOYCGJS-XRHAFTOMSA-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).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
1-O-[6-O-(3-phenylpropanoyl)-α-D-galactopyranosyl]-N-hexacosanoylsphinganine (CHEBI:140668) has functional parent α-D-galactose (CHEBI:28061)
1-O-[6-O-(3-phenylpropanoyl)-α-D-galactopyranosyl]-N-hexacosanoylsphinganine (CHEBI:140668) has role epitope (CHEBI:53000)
1-O-[6-O-(3-phenylpropanoyl)-α-D-galactopyranosyl]-N-hexacosanoylsphinganine (CHEBI:140668) is a glycodihydroceramide (CHEBI:60451)
IUPAC Name 
N-[(2S,3R)-3-hydroxy-1-{[6-O-(3-phenylpropanoyl)-α-D-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide
Synonyms  Source
1-O-[6-O-(3-phenylpropanoyl)-α-D-galactosyl]-N-hexacosanoylsphinganineChEBI
AH10-7ChEBI
Citations