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CHEBI:74251 - glycerol mono(keto-meromycolate)

ChEBI IDCHEBI:74251
ChEBI Nameglycerol mono(keto-meromycolate)
Stars
DefinitionA mycolate ester formed by esterification of keto-meromycolic acid with the 1-OH of glycerol.
Last Modified21 June 2013
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC84H164O6
Net Charge0
Average Mass1270.230
Monoisotopic Mass1269.25279
SMILESCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OCC(O)CO)C(O)CCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C84H164O6/c1-4-6-8-10-12-14-16-18-20-22-23-24-26-30-34-41-47-53-59-65-71-81(84(89)90-76-80(86)75-85)83(88)73-67-61-55-49-43-37-36-40-46-52-58-64-70-79-74-78(79)69-63-57-51-45-39-33-29-27-31-35-42-48-54-60-66-72-82(87)77(3)68-62-56-50-44-38-32-28-25-21-19-17-15-13-11-9-7-5-2/h77-81,83,85-86,88H,4-76H2,1-3H3
InChIKeyCAFCXJLNGZTNND-UHFFFAOYSA-N
Roles Classification
Biological Role:
antigen  Any substance that stimulates an immune response in the body, such as through antibody production or by presentation to a T-cell receptor after binding to a major histocompability complex (MHC).
ChEBI Ontology
Outgoing Relation(s)
glycerol mono(keto-meromycolate) (CHEBI:74251) has functional parent glycerol (CHEBI:17754)
glycerol mono(keto-meromycolate) (CHEBI:74251) has functional parent keto-meromycolic acid (CHEBI:74248)
glycerol mono(keto-meromycolate) (CHEBI:74251) has role antigen (CHEBI:59132)
glycerol mono(keto-meromycolate) (CHEBI:74251) is a mycolate ester (CHEBI:74253)
IUPAC Name 
2,3-dihydroxypropyl 2-{1-hydroxy-15-[2-(19-methyl-18-oxooctatriacontyl)cyclopropyl]pentadecyl}tetracosanoate
Citations