EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:198495 - 3,6-di-O-acetyl-2-O-octadecanoyl-alpha,alpha-D-trehalose

ChEBI IDCHEBI:198495
ChEBI Name3,6-di-O-acetyl-2-O-octadecanoyl-alpha,alpha-D-trehalose
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H60O14
Net Charge0
Average Mass692.840
Monoisotopic Mass692.39831
SMILESCCCCCCCCCCCCCCCCCC(=O)OC1C(OC2OC(CO)C(O)C(O)C2O)OC(COC(C)=O)C(O)C1OC(C)=O
InChIInChI=1S/C34H60O14/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(38)47-32-31(44-23(3)37)28(40)25(21-43-22(2)36)46-34(32)48-33-30(42)29(41)27(39)24(20-35)45-33/h24-25,27-35,39-42H,4-21H2,1-3H3
InChIKeyXGTDSGQURDZLGW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Symbiotaphrina lignicola (ncbitaxon:177195) - DOI (10.1021/np50102a004)
ChEBI Ontology
Outgoing Relation(s)
3,6-di-O-acetyl-2-O-octadecanoyl-alpha,alpha-D-trehalose (CHEBI:198495) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
[4-acetyloxy-6-(acetyloxymethyl)-5-hydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] octadecanoate
Manual XrefsDatabases
78443880ChemSpider