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CHEBI:140461 - 3-[β-D-glucopyranosyl-(1→6)-β-D-galactopyranosyl]-1,2-distearoyl-sn-glycerol

ChEBI IDCHEBI:140461
ChEBI Name3-[β-D-glucopyranosyl-(1→6)-β-D-galactopyranosyl]-1,2-distearoyl-sn-glycerol
Stars
ASCII Name3-[beta-D-glucopyranosyl-(1->6)-beta-D-galactopyranosyl]-1,2-distearoyl-sn-glycerol
DefinitionA 3-[β-D-glucopyranosyl-(1→6)-β-D-galactopyranosyl]-1,2-diacyl-sn-glycerol in which the acyl groups at O-1 and O-2 are both stearoyl. A synthetic acyl homologue of the β-glycolipid antigens (β-GGLs) of Mycoplasma pneumoniae.
Last Modified2 April 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC51H96O15
Net Charge0
Average Mass949.314
Monoisotopic Mass948.67492
SMILESCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C51H96O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h39-41,44-52,55-60H,3-38H2,1-2H3/t39-,40-,41-,44-,45+,46+,47+,48-,49-,50-,51-/m1/s1
InChIKeyLDQFLSUQYHBXSX-JQTIBWPPSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[β-D-glucopyranosyl-(1→6)-β-D-galactopyranosyl]-1,2-distearoyl-sn-glycerol (CHEBI:140461) is a 3-[β-D-glucopyranosyl-(1→6)-β-D-galactopyranosyl]-1,2-diacyl-sn-glycerol (CHEBI:137667)
IUPAC Name 
(2S)-3-[(6-O-β-D-glucopyranosyl-β-D-galactopyranosyl)oxy]propane-1,2-diyl dioctadecanoate
Synonyms  Source
3-[β-D-Glcp-(1→6)-β-D-Galp]-1,2-distearoyl-sn-glycerolChEBI
3-O-[β-D-Glc-(1→6)-β-D-Gal]-1,2-di-O-stearoyl-sn-glycerolChEBI
3-O-[β-D-glucopyranosyl-(1→6)-β-D-galactopyranosyl]-1,2-di-O-stearoyl-sn-glycerolIUPAC
βGGL-C18IUPAC
3-[β-D-glucosyl-(1→6)-β-D-galactosyl]-1,2-distearoyl-sn-glycerolChEBI
3-O-[β-D-glucopyranosyl-(1→6)-β-D-galactopyranosyl]-1,2-di-O-octadecanoyl-sn-glycerolIUPAC
Citations