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

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ChEBI Name 1-O-[6-O-(3-phenylpropanoyl)-α-D-galactosyl]-N-hexacosanoylphytosphingosine
ChEBI ID CHEBI:140669
ChEBI ASCII Name 1-O-[6-O-(3-phenylpropanoyl)-alpha-D-galactosyl]-N-hexacosanoylphytosphingosine
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C59H107NO10
Net Charge 0
Average Mass 990.484
Monoisotopic Mass 989.78950
InChI InChI=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
InChIKey PNZLFBBXOZXBHH-IKSYUIOOSA-N
SMILES O([C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)CCC=2C=CC=CC2)O)O)O)C[C@@H]([C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)NC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O
Roles Classification
Biological Role(s): 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).
(via N-acylphytosphingosine )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
1-O-[6-O-(3-phenylpropanoyl)-α-D-galactopyranosyl]-N-hexacosanoylphytosphingosine IUPAC
AH15-1 ChEBI
Citation Waiting for Citations Type Source
29576533 PubMed citation Europe PMC
Last Modified
04 May 2018