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CHEBI:206545 - 3,6,6'-Tri-0-ocetyl-2-0-octadecanoyl-alpha,alpha-D-trehalose

ChEBI IDCHEBI:206545
ChEBI Name3,6,6'-Tri-0-ocetyl-2-0-octadecanoyl-alpha,alpha-D-trehalose
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H62O15
Net Charge0
Average Mass734.877
Monoisotopic Mass734.40887
SMILESCCCCCCCCCCCCCCCCCC(=O)OC1C(OC2OC(COC(C)=O)C(O)C(O)C2O)OC(COC(C)=O)C(O)C1OC(C)=O
InChIInChI=1S/C36H62O15/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28(40)50-34-33(47-25(4)39)30(42)27(22-46-24(3)38)49-36(34)51-35-32(44)31(43)29(41)26(48-35)21-45-23(2)37/h26-27,29-36,41-44H,5-22H2,1-4H3
InChIKeyYTSDYPBFZODQLO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Symbiotaphrina lignicola (ncbitaxon:177195) - DOI (10.1021/np50102a004)
ChEBI Ontology
Outgoing Relation(s)
3,6,6'-Tri-0-ocetyl-2-0-octadecanoyl-alpha,alpha-D-trehalose (CHEBI:206545) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
[4-acetyloxy-6-(acetyloxymethyl)-2-[6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxyoxan-3-yl] octadecanoate
Manual XrefsDatabases
78444369ChemSpider