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CHEBI:73471 - 3-α-D-glucuronosyl-2-palmitoyl-1-stearoyl-sn-glycerol

ChEBI IDCHEBI:73471
ChEBI Name3-α-D-glucuronosyl-2-palmitoyl-1-stearoyl-sn-glycerol
Stars
ASCII Name3-alpha-D-glucuronosyl-2-palmitoyl-1-stearoyl-sn-glycerol
DefinitionAn α-D-glucuronosyl diglyceride in which the acyl groups at the 1- and 2-positions are stearoyl (octadecanoyl) and palmitoyl (hexadecanoyl) respectively.
Last Modified2 May 2013
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC43H80O11
Net Charge0
Average Mass773.102
Monoisotopic Mass772.57006
SMILESCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C43H80O11/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)51-33-35(34-52-43-40(48)38(46)39(47)41(54-43)42(49)50)53-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h35,38-41,43,46-48H,3-34H2,1-2H3,(H,49,50)/t35-,38+,39+,40-,41+,43+/m1/s1
InChIKeyMWMJZUXIQSJZGX-ZUDBAVPRSA-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-stearoyl-sn-glycerol (CHEBI:73471) has role antigen (CHEBI:59132)
3-α-D-glucuronosyl-2-palmitoyl-1-stearoyl-sn-glycerol (CHEBI:73471) is a α-D-glucuronosyl diglyceride (CHEBI:73470)
IUPAC Name 
(2S)-2-(hexadecanoyloxy)-3-(octadecanoyloxy)propyl α-D-glucopyranosiduronic acid
Synonyms  Source
α-GlcA-DAG (C18:0/C16:0)ChEBI
α-GlcA-DAG (C18:0/C16:0) from Mycobacterium smegmatisChEBI
(2S)-2-(palmitoyloxy)-3-(stearoyloxy)propyl α-D-glucopyranosiduronic acidIUPAC
Citations