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CHEBI:200058 - 6,2'-Di-0-acetyl-2-0-octadecanoyl-alpha,alpha-D-trehalose

ChEBI IDCHEBI:200058
ChEBI Name6,2'-Di-0-acetyl-2-0-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)C2OC(C)=O)OC(COC(C)=O)C(O)C1O
InChIInChI=1S/C34H60O14/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(38)47-32-30(42)28(40)25(21-43-22(2)36)46-34(32)48-33-31(44-23(3)37)29(41)27(39)24(20-35)45-33/h24-25,27-35,39-42H,4-21H2,1-3H3
InChIKeyCLZSMNZYFPPXDW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Symbiotaphrina lignicola (ncbitaxon:177195) - DOI (10.1021/np50102a004)
ChEBI Ontology
Outgoing Relation(s)
6,2'-Di-0-acetyl-2-0-octadecanoyl-alpha,alpha-D-trehalose (CHEBI:200058) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
[2-[3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(acetyloxymethyl)-4,5-dihydroxyoxan-3-yl] octadecanoate
Manual XrefsDatabases
78443936ChemSpider