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CHEBI:42782 - L-idopyranose 6-monomycolate

ChEBI IDCHEBI:42782
ChEBI NameL-idopyranose 6-monomycolate
Stars
ASCII NameL-idopyranose 6-monomycolate
DefinitionA monosaccharide derivative that is the 6-O-(2R,3R,23Z,33Z)-3-hydroxy-2-octyldopentaconta-23,33-dienoyl derivative of α-L-idopyranose
Last Modified13 December 2011
DownloadsMolfile
FormulaC66H126O8
Net Charge0
Average Mass1047.726
Monoisotopic Mass1046.94527
SMILESCCCCCCCCCCCCCCCCCC/C=C\CCCCCCCC/C=C\CCCCCCCCCCCCCCCCCCC[C@@H](O)[C@@H](CCCCCCCC)C(=O)OC[C@@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C66H126O8/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-51-53-55-57-60(67)59(56-54-52-10-8-6-4-2)65(71)73-58-61-62(68)63(69)64(70)66(72)74-61/h24-25,34-35,59-64,66-70,72H,3-23,26-33,36-58H2,1-2H3/b25-24-,35-34-/t59-,60-,61+,62-,63+,64-,66-/m1/s1
InChIKeyBVARSKHQNMUXIB-WOUBZNJSSA-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)
L-idopyranose 6-monomycolate (CHEBI:42782) has functional parent (2R,3R,23Z,33Z)-3-hydroxy-2-octyldopentaconta-23,33-dienoic acid (CHEBI:59553)
L-idopyranose 6-monomycolate (CHEBI:42782) has functional parent α-L-idopyranose (CHEBI:59552)
L-idopyranose 6-monomycolate (CHEBI:42782) has role epitope (CHEBI:53000)
L-idopyranose 6-monomycolate (CHEBI:42782) is a monosaccharide derivative (CHEBI:63367)
IUPAC Name 
6-O-[(2R,3R,23Z,33Z)-3-hydroxy-2-octyldopentaconta-23,33-dienoyl]-α-L-idopyranose
Synonym  Source
glucose monomycolateChEBI
Manual XrefsDatabases
GMMPDBeChem
1UQSPDB
Citations