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CHEBI:73473 - 3-α-D-glucuronosyl-2-palmitoyl-1-[(10R)-10-methyloctadecanoyl]-sn-glycerol

ChEBI IDCHEBI:73473
ChEBI Name3-α-D-glucuronosyl-2-palmitoyl-1-[(10R)-10-methyloctadecanoyl]-sn-glycerol
Stars
ASCII Name3-alpha-D-glucuronosyl-2-palmitoyl-1-[(10R)-10-methyloctadecanoyl]-sn-glycerol
DefinitionAn α-D-glucuronosyl diglyceride in which the acyl groups at the 1- and 2-positions are (10R)-10-methyloctadecanoyl and palmitoyl (hexadecanoyl) respectively.
Last Modified2 May 2013
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC44H82O11
Net Charge0
Average Mass787.129
Monoisotopic Mass786.58571
SMILESCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC[C@H](C)CCCCCCCC)CO[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C44H82O11/c1-4-6-8-10-12-13-14-15-16-17-18-24-28-32-38(46)54-36(34-53-44-41(49)39(47)40(48)42(55-44)43(50)51)33-52-37(45)31-27-23-20-19-22-26-30-35(3)29-25-21-11-9-7-5-2/h35-36,39-42,44,47-49H,4-34H2,1-3H3,(H,50,51)/t35-,36-,39+,40+,41-,42+,44+/m1/s1
InChIKeyNLPJYNZQKGQLQQ-KZEZPSQDSA-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)
3-α-D-glucuronosyl-2-palmitoyl-1-[(10R)-10-methyloctadecanoyl]-sn-glycerol (CHEBI:73473) has role antigen (CHEBI:59132)
3-α-D-glucuronosyl-2-palmitoyl-1-[(10R)-10-methyloctadecanoyl]-sn-glycerol (CHEBI:73473) is a α-D-glucuronosyl diglyceride (CHEBI:73470)
IUPAC Name 
(2S)-2-(hexadecanoyloxy)-3-{[(10R)-10-methyloctadecanoyl]oxy}propyl α-D-glucopyranosiduronic acid
Synonyms  Source
(2S)-3-{[(10R)-10-methyloctadecanoyl]oxy}-2-(palmitoyloxy)propyl α-D-glucopyranosiduronic acidIUPAC
α-GlcA-DAG (C19:0/C16:0)ChEBI
α-GlcA-DAG (C19:0/C16:0) from Mycobacterium smegmatisChEBI
Citations