EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:177527 - beta-D-Fructofuranosyl 4-O-dodecanoyl-alpha-D-glucopyranoside

Default Structure
ChEBI IDCHEBI:177527
ChEBI Namebeta-D-Fructofuranosyl 4-O-dodecanoyl-alpha-D-glucopyranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H44O12
Net Charge0
Average Mass524.604
Monoisotopic Mass524.28328
SMILESCCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@@H]1CO
InChIInChI=1S/C24H44O12/c1-2-3-4-5-6-7-8-9-10-11-17(28)34-21-16(13-26)33-23(20(31)19(21)30)36-24(14-27)22(32)18(29)15(12-25)35-24/h15-16,18-23,25-27,29-32H,2-14H2,1H3/t15-,16-,18-,19-,20-,21-,22+,23-,24+/m1/s1
InChIKeyYFTHUKVJRMGIEW-LFXIRSKSSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
beta-D-Fructofuranosyl 4-O-dodecanoyl-alpha-D-glucopyranoside (CHEBI:177527) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name 
[(2R,3S,4R,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] dodecanoate
Manual XrefsDatabases
58837907ChemSpider