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CHEBI:203244 - 6-O-(6-O-pentadecanoyl-alpha-D-glucopyranosyl)-1-O-pentadecanoyl-alpha-D-glucopyranose

Default Structure
ChEBI IDCHEBI:203244
ChEBI Name6-O-(6-O-pentadecanoyl-alpha-D-glucopyranosyl)-1-O-pentadecanoyl-alpha-D-glucopyranose
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H78O13
Net Charge0
Average Mass791.073
Monoisotopic Mass790.54424
SMILESCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC(=O)CCCCCCCCCCCCCC)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C42H78O13/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-33(43)51-29-31-35(45)37(47)39(49)41(53-31)52-30-32-36(46)38(48)40(50)42(54-32)55-34(44)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-32,35-42,45-50H,3-30H2,1-2H3/t31-,32-,35-,36-,37+,38+,39-,40-,41+,42-/m1/s1
InChIKeyXMMJYHIYCFEHRW-AZCUGFHVSA-N
Species of MetaboliteComponentSourceComments
Lacticaseibacillus casei (ncbitaxon:1582) - PubMed (24996359)
ChEBI Ontology
Outgoing Relation(s)
6-O-(6-O-pentadecanoyl-alpha-D-glucopyranosyl)-1-O-pentadecanoyl-alpha-D-glucopyranose (CHEBI:203244) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name 
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-pentadecanoyloxyoxan-2-yl]methoxy]oxan-2-yl]methyl pentadecanoate
Manual XrefsDatabases
78442226ChemSpider