EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:59236 - 4-(18,20-dihydroxy-26-methoxy-25-methyloctacosyl)phenyl 3,6-di-O-methyl-β-D-Glc-(1→4)-2,3-di-O-methyl-α-L-Rha-(1→2)-3-O-methyl-α-L-Rha

ChEBI IDCHEBI:59236
ChEBI Name4-(18,20-dihydroxy-26-methoxy-25-methyloctacosyl)phenyl 3,6-di-O-methyl-β-D-Glc-(1→4)-2,3-di-O-methyl-α-L-Rha-(1→2)-3-O-methyl-α-L-Rha
Stars
ASCII Name4-(18,20-dihydroxy-26-methoxy-25-methyloctacosyl)phenyl 3,6-di-O-methyl-beta-D-Glc-(1->4)-2,3-di-O-methyl-alpha-L-Rha-(1->2)-3-O-methyl-alpha-L-Rha
DefinitionA lipooligosaccharide consisting of a phenolic phthiocerol core linked to the trisaccharide 3,6-di-O-methyl-α-D-glucopyranosyl-(1→4)-2,3-di-O-methyl-α-L-rhamnopyranosyl-(1→2)-3-O-methyl-α-L-rhamnopyranose.
Last Modified23 August 2016
SubmitterSteve
DownloadsMolfile
FormulaC60H108O17
Net Charge0
Average Mass1101.507
Monoisotopic Mass1100.75865
SMILESCC[C@H](OC)[C@H](C)CCCC[C@@H](O)C[C@@H](O)CCCCCCCCCCCCCCCCCCc1ccc(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](OC)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O[C@H]3O[C@H](COC)[C@@H](O)[C@H](OC)[C@H]3O)[C@@H](OC)[C@H]2OC)cc1
InChIInChI=1S/C60H108O17/c1-11-47(67-6)40(2)30-28-29-33-45(62)38-44(61)32-27-25-23-21-19-17-15-13-12-14-16-18-20-22-24-26-31-43-34-36-46(37-35-43)74-60-57(54(69-8)49(63)41(3)72-60)77-59-56(71-10)55(70-9)52(42(4)73-59)76-58-51(65)53(68-7)50(64)48(75-58)39-66-5/h34-37,40-42,44-45,47-65H,11-33,38-39H2,1-10H3/t40-,41+,42+,44+,45-,47+,48-,49+,50-,51-,52+,53+,54-,55-,56-,57-,58-,59+,60+/m1/s1
InChIKeyGSZNVQSLPJJQJQ-UHTCQZBBSA-N
Roles Classification
Biological Role:
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.
ChEBI Ontology
Outgoing Relation(s)
4-(18,20-dihydroxy-26-methoxy-25-methyloctacosyl)phenyl 3,6-di-O-methyl-β-D-Glc-(1→4)-2,3-di-O-methyl-α-L-Rha-(1→2)-3-O-methyl-α-L-Rha (CHEBI:59236) has functional parent phenolic phthiocerol (CHEBI:59237)
4-(18,20-dihydroxy-26-methoxy-25-methyloctacosyl)phenyl 3,6-di-O-methyl-β-D-Glc-(1→4)-2,3-di-O-methyl-α-L-Rha-(1→2)-3-O-methyl-α-L-Rha (CHEBI:59236) has role epitope (CHEBI:53000)
4-(18,20-dihydroxy-26-methoxy-25-methyloctacosyl)phenyl 3,6-di-O-methyl-β-D-Glc-(1→4)-2,3-di-O-methyl-α-L-Rha-(1→2)-3-O-methyl-α-L-Rha (CHEBI:59236) is a lipooligosaccharide (CHEBI:35371)
IUPAC Names 
4-[(19S,21R,26R,27S)-19,21-dihydroxy-27-methoxy-26-methylnonacosyl]phenyl 3,6-di-O-methyl-α-D-glucopyranosyl-(1→4)-6-deoxy-2,3-di-O-methyl-α-L-mannopyranosyl-(1→2)-6-deoxy-3-O-methyl-α-L-mannopyranoside
4-[(19S,21R,26R,27S)-19,21-dihydroxy-27-methoxy-26-methylnonacosyl]phenyl 3,6-di-O-methyl-α-D-glucopyranosyl-(1→4)-2,3-di-O-methyl-α-L-rhamnopyranosyl-(1→2)-3-O-methyl-α-L-rhamnopyranoside
Synonyms  Source
deacylated phenolic glycolipid IChEBI
4-[(19S,21R,26R,27S)-19,21-dihydroxy-27-methoxy-26-methylnonacosyl]phenyl 3,6-di-O-methyl-α-D-glucosyl-(1→4)-2,3-di-O-methyl-α-L-rhamnosyl-(1→2)-3-O-methyl-α-L-rhamnosideChEBI
Citations