CHEBI:42782 - L-idopyranose 6-monomycolate

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ChEBI Name L-idopyranose 6-monomycolate
ChEBI ID CHEBI:42782
ChEBI ASCII Name L-idopyranose 6-monomycolate
Definition A monosaccharide derivative that is the 6-O-(2R,3R,23Z,33Z)-3-hydroxy-2-octyldopentaconta-23,33-dienoyl derivative of α-L-idopyranose
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C66H126O8
Net Charge 0
Average Mass 1047.70180
Monoisotopic Mass 1046.94527
InChI InChI=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
InChIKey BVARSKHQNMUXIB-WOUBZNJSSA-N
SMILES CCCCCCCCCCCCCCCCCC\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
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.
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ChEBI Ontology
Outgoing L-idopyranose 6-monomycolate (CHEBI:42782) has functional parent α-L-idopyranose (CHEBI:59552)
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 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 monomycolate ChEBI
Manual Xrefs Databases
1UQS PDB
GMM PDBeChem
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Citation Waiting for Citations Type Source
14764708 PubMed citation Europe PMC
Last Modified
13 December 2011