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CHEBI:204832 - 6-0-acetyl2-0-octadecanoy 1-alpha ,alpha-D-trehalose

ChEBI IDCHEBI:204832
ChEBI Name6-0-acetyl2-0-octadecanoy 1-alpha ,alpha-D-trehalose
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H58O13
Net Charge0
Average Mass650.803
Monoisotopic Mass650.38774
SMILESCCCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)O[C@H](COC(C)=O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C32H58O13/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(35)44-30-28(39)26(37)23(20-41-21(2)34)43-32(30)45-31-29(40)27(38)25(36)22(19-33)42-31/h22-23,25-33,36-40H,3-20H2,1-2H3/t22-,23+,25-,26+,27+,28-,29-,30+,31-,32+/m0/s1
InChIKeySFXQGFQDGMHFCG-NPMFFISESA-N
Species of MetaboliteComponentSourceComments
Symbiotaphrina lignicola (ncbitaxon:177195) - DOI (10.1021/np50102a004)
ChEBI Ontology
Outgoing Relation(s)
6-0-acetyl2-0-octadecanoy 1-alpha ,alpha-D-trehalose (CHEBI:204832) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
[(2R,3R,4S,5S,6R)-6-(acetyloxymethyl)-4,5-dihydroxy-2-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] octadecanoate